=============================================================================== About this build: this rebuild has been done as part of reproduce.debian.net where we aim to reproduce Debian binary packages distributed via ftp.debian.org, by rebuilding using the exact same packages as the original build on the buildds, as described in the relevant .buildinfo file from buildinfos.debian.net. For more information please go to https://reproduce.debian.net or join #debian-reproducible on irc.debian.org =============================================================================== Preparing download of sources for /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1+b1_loong64.buildinfo Source: rdkit Version: 202609.1-1 rebuilderd-worker node: loong64-02 +------------------------------------------------------------------------------+ | Downloading sources Mon, 02 Nov 2026 12:46:48 +0000 | +------------------------------------------------------------------------------+ Get:1 https://deb.debian.org/debian trixie InRelease [140 kB] Get:2 https://deb.debian.org/debian-security trixie-security InRelease [43.4 kB] Get:3 https://deb.debian.org/debian trixie-updates InRelease [47.3 kB] Get:4 https://deb.debian.org/debian trixie-proposed-updates InRelease [57.7 kB] Get:5 https://deb.debian.org/debian trixie-backports InRelease [54.0 kB] Get:6 https://deb.debian.org/debian forky InRelease [151 kB] Get:7 https://deb.debian.org/debian sid InRelease [193 kB] Get:8 https://deb.debian.org/debian experimental InRelease [91.7 kB] Get:9 https://deb.debian.org/debian trixie/main Sources [10.5 MB] Get:10 https://deb.debian.org/debian trixie/non-free-firmware Sources [6,552 B] Get:11 https://deb.debian.org/debian-security trixie-security/non-free-firmware Sources [696 B] Get:12 https://deb.debian.org/debian-security trixie-security/main Sources [248 kB] Get:13 https://deb.debian.org/debian trixie-updates/main Sources [1,396 B] Get:14 https://deb.debian.org/debian trixie-proposed-updates/main Sources [155 kB] Get:15 https://deb.debian.org/debian trixie-backports/non-free-firmware Sources [3,520 B] Get:16 https://deb.debian.org/debian trixie-backports/main Sources [336 kB] Get:17 https://deb.debian.org/debian forky/non-free-firmware Sources [7,984 B] Get:18 https://deb.debian.org/debian forky/main Sources [11.4 MB] Get:19 https://deb.debian.org/debian sid/non-free-firmware Sources [10.8 kB] Get:20 https://deb.debian.org/debian sid/main Sources [12.1 MB] Get:21 https://deb.debian.org/debian experimental/main Sources [362 kB] Get:22 https://deb.debian.org/debian experimental/non-free-firmware Sources [2,568 B] Fetched 36.0 MB in 8min 24s (71.5 kB/s) Reading package lists... 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202609.1-1.dsc' rdkit_202609.1-1.dsc 2551 SHA256:2e131e4b36c5b436e2e50fcd341208fc1dfa035dfb8542356758d1b355247438 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202609.1.orig.tar.xz' rdkit_202609.1.orig.tar.xz 65618536 SHA256:cb3e9aa74b5a6ba679f9c2d794f2c3b78ca185078dc3ef184f2d16039571b802 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202609.1-1.debian.tar.xz' rdkit_202609.1-1.debian.tar.xz 50576 SHA256:610cddd665e830de765a033c22163fb7e4402b6bd3e2bafb74f371b891d5472e cb3e9aa74b5a6ba679f9c2d794f2c3b78ca185078dc3ef184f2d16039571b802 rdkit_202609.1.orig.tar.xz 610cddd665e830de765a033c22163fb7e4402b6bd3e2bafb74f371b891d5472e rdkit_202609.1-1.debian.tar.xz 2e131e4b36c5b436e2e50fcd341208fc1dfa035dfb8542356758d1b355247438 rdkit_202609.1-1.dsc +------------------------------------------------------------------------------+ | Calling debrebuild Mon, 02 Nov 2026 13:03:36 +0000 | +------------------------------------------------------------------------------+ Rebuilding rdkit=202609.1-1 in /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs now. + /usr/bin/debrebuild --buildresult=/srv/rebuilderd/tmp/rebuilderdpoB6WJ/out --builder=sbuild+unshare --cache=/srv/rebuilderd/cache -- /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1+b1_loong64.buildinfo /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1+b1_loong64.buildinfo contains a GPG signature which has NOT been validated Using defined Build-Path: /build/reproducible-path/rdkit-202609.1 I: verifying dsc... successful! Get:1 http://deb.debian.org/debian unstable InRelease [193 kB] Get:2 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable InRelease [193 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 Packages [10.4 MB] Get:4 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 Packages [10.4 MB] Fetched 21.1 MB in 1min 49s (194 kB/s) Reading package lists... W: http://snapshot.debian.org/archive/debian/20261026T022331Z/dists/unstable/InRelease: Loading /etc/apt/trusted.gpg from deprecated option Dir::Etc::Trusted Get:1 http://deb.debian.org/debian unstable/main loong64 libabsl20260526 loong64 20260526.0-2+b1 [536 kB] Get:2 http://deb.debian.org/debian unstable/main loong64 libacl1 loong64 2.4.0-1 [37.9 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 adduser all 3.159 [230 kB] Get:4 http://deb.debian.org/debian unstable/main loong64 libaom3 loong64 3.14.1-1 [1296 kB] Get:5 http://deb.debian.org/debian unstable/main loong64 libapache-pom-java all 33-2 [5852 B] Get:6 http://deb.debian.org/debian unstable/main loong64 architecture-properties loong64 0.2.6+b2 [2640 B] Get:7 http://deb.debian.org/debian unstable/main loong64 libattr1 loong64 1:2.6.0-1 [24.8 kB] Get:8 http://deb.debian.org/debian unstable/main loong64 libaudit-common all 1:4.1.2-1 [14.3 kB] Get:9 http://deb.debian.org/debian unstable/main loong64 libaudit1 loong64 1:4.1.2-1+b2 [60.4 kB] Get:10 http://deb.debian.org/debian unstable/main loong64 autoconf all 2.73-2 [516 kB] Get:11 http://deb.debian.org/debian unstable/main loong64 automake all 1:1.19-3 [892 kB] Get:12 http://deb.debian.org/debian unstable/main loong64 autotools-dev all 20240727.1+nmu1 [60.0 kB] Get:13 http://deb.debian.org/debian unstable/main loong64 base-files loong64 14.2 [88.0 kB] Get:14 http://deb.debian.org/debian unstable/main loong64 base-passwd loong64 3.6.8+b1 [54.7 kB] Get:15 http://deb.debian.org/debian unstable/main loong64 bash loong64 5.3-4 [1551 kB] Get:16 http://deb.debian.org/debian unstable/main loong64 binutils loong64 2.47.50.20261021-1 [70.6 kB] Get:17 http://deb.debian.org/debian unstable/main loong64 binutils-common loong64 2.47.50.20261021-1 [2687 kB] Get:18 http://deb.debian.org/debian unstable/main loong64 binutils-loongarch64-linux-gnu loong64 2.47.50.20261021-1 [855 kB] Get:19 http://deb.debian.org/debian unstable/main loong64 libbinutils loong64 2.47.50.20261021-1 [499 kB] Get:20 http://deb.debian.org/debian unstable/main loong64 bison loong64 2:3.8.2+dfsg-1+b3 [1161 kB] Get:21 http://deb.debian.org/debian unstable/main loong64 libboost-dev loong64 1.92.0.1 [3260 B] Get:22 http://deb.debian.org/debian unstable/main loong64 libboost-iostreams-dev loong64 1.92.0.1 [3040 B] Get:23 http://deb.debian.org/debian unstable/main loong64 libboost-atomic1.92-dev loong64 1.92.0-4+b1 [240 kB] Get:24 http://deb.debian.org/debian unstable/main loong64 libboost-atomic1.92.0 loong64 1.92.0-4+b1 [228 kB] Get:25 http://deb.debian.org/debian unstable/main loong64 libboost-chrono1.92-dev loong64 1.92.0-4+b1 [340 kB] Get:26 http://deb.debian.org/debian unstable/main loong64 libboost-chrono1.92.0 loong64 1.92.0-4+b1 [237 kB] Get:27 http://deb.debian.org/debian unstable/main loong64 libboost-container1.92-dev loong64 1.92.0-4+b1 [304 kB] Get:28 http://deb.debian.org/debian unstable/main loong64 libboost-container1.92.0 loong64 1.92.0-4+b1 [250 kB] Get:29 http://deb.debian.org/debian unstable/main loong64 libboost-date-time1.92-dev loong64 1.92.0-4+b1 [234 kB] Get:30 http://deb.debian.org/debian unstable/main loong64 libboost-date-time1.92.0 loong64 1.92.0-4+b1 [224 kB] Get:31 http://deb.debian.org/debian unstable/main loong64 libboost-exception1.92-dev loong64 1.92.0-4+b1 [226 kB] Get:32 http://deb.debian.org/debian unstable/main loong64 libboost-graph1.92-dev loong64 1.92.0-4+b1 [814 kB] Get:33 http://deb.debian.org/debian unstable/main loong64 libboost-graph1.92.0 loong64 1.92.0-4+b1 [350 kB] Get:34 http://deb.debian.org/debian unstable/main loong64 bubblewrap loong64 0.13.1-1 [54.5 kB] Get:35 http://deb.debian.org/debian unstable/main loong64 build-essential loong64 12.12+b1 [4900 B] Get:36 http://deb.debian.org/debian unstable/main loong64 bzip2 loong64 1.0.8-6+b2 [40.3 kB] Get:37 http://deb.debian.org/debian unstable/main loong64 ca-certificates all 20260816+nmu1 [134 kB] Get:38 http://deb.debian.org/debian unstable/main loong64 catch2 all 3.7.1-0.6 [5216 B] Get:39 http://deb.debian.org/debian unstable/main loong64 dash loong64 0.5.12-12+b1 [101 kB] Get:40 http://deb.debian.org/debian unstable/main loong64 debconf all 1.5.92 [123 kB] Get:41 http://deb.debian.org/debian unstable/main loong64 debhelper all 14.5 [944 kB] Get:42 http://deb.debian.org/debian unstable/main loong64 debianutils loong64 5.24 [93.1 kB] Get:43 http://deb.debian.org/debian unstable/main loong64 dh-autoreconf all 23 [12.7 kB] Get:44 http://deb.debian.org/debian unstable/main loong64 diffutils loong64 1:3.12-1+b1 [405 kB] Get:45 http://deb.debian.org/debian unstable/main loong64 doxygen loong64 1.17.0+ds-1.1 [5218 kB] Get:46 http://deb.debian.org/debian unstable/main loong64 dpkg loong64 1.23.11 [1196 kB] Get:47 http://deb.debian.org/debian unstable/main loong64 dpkg-dev all 1.23.11 [1005 kB] Get:48 http://deb.debian.org/debian unstable/main loong64 dwz loong64 0.17-1 [109 kB] Get:49 http://deb.debian.org/debian unstable/main loong64 file loong64 1:5.47-4 [43.2 kB] Get:50 http://deb.debian.org/debian unstable/main loong64 findutils loong64 4.11.0-3 [784 kB] Get:51 http://deb.debian.org/debian unstable/main loong64 flex loong64 2.6.4-8.2+b5 [414 kB] Get:52 http://deb.debian.org/debian unstable/main loong64 fontconfig loong64 2.17.1-5 [191 kB] Get:53 http://deb.debian.org/debian unstable/main loong64 fontconfig-config loong64 2.17.1-5 [56.1 kB] Get:54 http://deb.debian.org/debian unstable/main loong64 fonts-dejavu-core all 2.37-9 [840 kB] Get:55 http://deb.debian.org/debian unstable/main loong64 fonts-dejavu-mono all 2.37-9 [488 kB] Get:56 http://deb.debian.org/debian unstable/main loong64 cpp-16 loong64 16.2.0-4 [1284 B] Get:57 http://deb.debian.org/debian unstable/main loong64 cpp-16-loongarch64-linux-gnu loong64 16.2.0-4 [10.8 MB] Get:58 http://deb.debian.org/debian unstable/main loong64 g++-16 loong64 16.2.0-4 [36.4 kB] Get:59 http://deb.debian.org/debian unstable/main loong64 g++-16-loongarch64-linux-gnu loong64 16.2.0-4 [12.0 MB] Get:60 http://deb.debian.org/debian unstable/main loong64 gcc-16 loong64 16.2.0-4 [530 kB] Get:61 http://deb.debian.org/debian unstable/main loong64 gcc-16-base loong64 16.2.0-4 [39.3 kB] Get:62 http://deb.debian.org/debian unstable/main loong64 gcc-16-loongarch64-linux-gnu loong64 16.2.0-4 [20.7 MB] Get:63 http://deb.debian.org/debian unstable/main loong64 libasan8 loong64 16.2.0-4 [2833 kB] Get:64 http://deb.debian.org/debian unstable/main loong64 libatomic1 loong64 16.2.0-4 [9240 B] Get:65 http://deb.debian.org/debian unstable/main loong64 cpp loong64 4:16.1.0-3 [1580 B] Get:66 http://deb.debian.org/debian unstable/main loong64 cpp-loongarch64-linux-gnu loong64 4:16.1.0-3 [4472 B] Get:67 http://deb.debian.org/debian unstable/main loong64 g++ loong64 4:16.1.0-3 [1336 B] Get:68 http://deb.debian.org/debian unstable/main loong64 g++-loongarch64-linux-gnu loong64 4:16.1.0-3 [1204 B] Get:69 http://deb.debian.org/debian unstable/main loong64 gcc loong64 4:16.1.0-3 [5148 B] Get:70 http://deb.debian.org/debian unstable/main loong64 gcc-loongarch64-linux-gnu loong64 4:16.1.0-3 [1444 B] Get:71 http://deb.debian.org/debian unstable/main loong64 autopoint all 1.0-5 [820 kB] Get:72 http://deb.debian.org/debian unstable/main loong64 gettext loong64 1.0-5 [2622 kB] Get:73 http://deb.debian.org/debian unstable/main loong64 gettext-base loong64 1.0-5 [331 kB] Get:74 http://deb.debian.org/debian unstable/main loong64 girepository-tools loong64 2.90.1-2 [127 kB] Get:75 http://deb.debian.org/debian unstable/main loong64 glycin-loaders loong64 2.2.3+ds-1 [2857 kB] Get:76 http://deb.debian.org/debian unstable/main loong64 glycin-thumbnailers loong64 2.2.3+ds-1 [201 kB] Get:77 http://deb.debian.org/debian unstable/main loong64 grep loong64 3.12-1+b1 [445 kB] Get:78 http://deb.debian.org/debian unstable/main loong64 groff-base loong64 1.24.2-2 [1314 kB] Get:79 http://deb.debian.org/debian unstable/main loong64 gzip loong64 1.14-1 [143 kB] Get:80 http://deb.debian.org/debian unstable/main loong64 hicolor-icon-theme all 0.18-2 [11.8 kB] Get:81 http://deb.debian.org/debian unstable/main loong64 hostname loong64 3.25+b1 [11.2 kB] Get:82 http://deb.debian.org/debian unstable/main loong64 imagemagick loong64 8:7.1.2.34+dfsg1-1 [27.5 kB] Get:83 http://deb.debian.org/debian unstable/main loong64 imagemagick-7-common all 8:7.1.2.34+dfsg1-1 [75.3 kB] Get:84 http://deb.debian.org/debian unstable/main loong64 imagemagick-7.q16 loong64 8:7.1.2.34+dfsg1-1 [734 kB] Get:85 http://deb.debian.org/debian unstable/main loong64 init-system-helpers all 1.69+nmu3 [37.3 kB] Get:86 http://deb.debian.org/debian unstable/main loong64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get:87 http://deb.debian.org/debian unstable/main loong64 libblas3 loong64 3.12.1-8 [114 kB] Get:88 http://deb.debian.org/debian unstable/main loong64 latexmk all 1:4.88~ds-1 [515 kB] Get:89 http://deb.debian.org/debian unstable/main loong64 libarchive13t64 loong64 3.8.10-2 [345 kB] Get:90 http://deb.debian.org/debian unstable/main loong64 libarchive-zip-perl all 1.68-1 [104 kB] Get:91 http://deb.debian.org/debian unstable/main loong64 libavif16 loong64 1.4.2-1 [144 kB] Get:92 http://deb.debian.org/debian unstable/main loong64 fonts-lmodern all 2.005-2 [4533 kB] Get:93 http://deb.debian.org/debian unstable/main loong64 docutils-common all 0.23+dfsg-2 [124 kB] Get:94 http://deb.debian.org/debian unstable/main loong64 dh-strip-nondeterminism all 1.15.1-1 [6020 B] Get:95 http://deb.debian.org/debian unstable/main loong64 bsdextrautils loong64 2.42.4-1 [103 kB] Get:96 http://deb.debian.org/debian unstable/main loong64 libblkid-dev loong64 2.42.4-1 [473 kB] Get:97 http://deb.debian.org/debian unstable/main loong64 libblkid1 loong64 2.42.4-1 [179 kB] Get:98 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 cmake loong64 4.3.4-1 [14.6 MB] Get:99 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 coreutils loong64 9.10-1 [3128 kB] Get:100 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 dh-python all 7.20261025 [115 kB] Fetched 108 MB in 1s (103 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gzip_1.14-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-exception1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libaom3_3.14.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/init-system-helpers_1.69+nmu3_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-container1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libatomic1_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libarchive-zip-perl_1.68-1_all.deb' dpkg-name: info: moved 'cpp_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/cpp_16.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gettext-base_1.0-5_loong64.deb' dpkg-name: info: moved 'libaudit-common_1%3a4.1.2-1_all.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/libaudit-common_4.1.2-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-atomic1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dpkg_1.23.11_loong64.deb' dpkg-name: info: moved 'g++_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/g++_16.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dash_0.5.12-12+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/g++-16-loongarch64-linux-gnu_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/glycin-thumbnailers_2.2.3+ds-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gcc-16-loongarch64-linux-gnu_16.2.0-4_loong64.deb' dpkg-name: info: moved 'imagemagick-7.q16_8%3a7.1.2.34+dfsg1-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/imagemagick-7.q16_7.1.2.34+dfsg1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gettext_1.0-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/doxygen_1.17.0+ds-1.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libbinutils_2.47.50.20261021-1_loong64.deb' dpkg-name: info: moved 'libattr1_1%3a2.6.0-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/libattr1_2.6.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/autopoint_1.0-5_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/architecture-properties_0.2.6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-graph1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/bsdextrautils_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gcc-16-base_16.2.0-4_loong64.deb' dpkg-name: info: moved 'imagemagick-7-common_8%3a7.1.2.34+dfsg1-1_all.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/imagemagick-7-common_7.1.2.34+dfsg1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/ca-certificates_20260816+nmu1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/fontconfig_2.17.1-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libblkid1_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dh-autoreconf_23_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/cpp-16-loongarch64-linux-gnu_16.2.0-4_loong64.deb' dpkg-name: info: moved 'libaudit1_1%3a4.1.2-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/libaudit1_4.1.2-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/flex_2.6.4-8.2+b5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dh-python_7.20261025_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/base-passwd_3.6.8+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/catch2_3.7.1-0.6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/bzip2_1.0.8-6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/bash_5.3-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/groff-base_1.24.2-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/cmake_4.3.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-date-time1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/cpp-16_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/docutils-common_0.23+dfsg-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/binutils-loongarch64-linux-gnu_2.47.50.20261021-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dpkg-dev_1.23.11_all.deb' dpkg-name: info: moved 'bison_2%3a3.8.2+dfsg-1+b3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/bison_3.8.2+dfsg-1+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/hicolor-icon-theme_0.18-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/debconf_1.5.92_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-graph1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/glycin-loaders_2.2.3+ds-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libblkid-dev_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/bubblewrap_0.13.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/base-files_14.2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-chrono1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: info: moved 'gcc_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/gcc_16.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libacl1_2.4.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/g++-16_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/debianutils_5.24_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/girepository-tools_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-atomic1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libasan8_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/intltool-debian_0.35.0+20060710.6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-iostreams-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/hostname_3.25+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/fonts-dejavu-core_2.37-9_all.deb' dpkg-name: info: moved 'imagemagick_8%3a7.1.2.34+dfsg1-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/imagemagick_7.1.2.34+dfsg1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/fonts-dejavu-mono_2.37-9_all.deb' dpkg-name: info: moved 'latexmk_1%3a4.88~ds-1_all.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/latexmk_4.88~ds-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/autotools-dev_20240727.1+nmu1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libapache-pom-java_33-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-chrono1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: info: moved 'automake_1%3a1.19-3_all.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/automake_1.19-3_all.deb' dpkg-name: info: moved 'diffutils_1%3a3.12-1+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/diffutils_3.12-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libarchive13t64_3.8.10-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libavif16_1.4.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/autoconf_2.73-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dwz_0.17-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libblas3_3.12.1-8_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/build-essential_12.12+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/coreutils_9.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/fontconfig-config_2.17.1-5_loong64.deb' dpkg-name: info: moved 'g++-loongarch64-linux-gnu_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/g++-loongarch64-linux-gnu_16.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/dh-strip-nondeterminism_1.15.1-1_all.deb' dpkg-name: info: moved 'cpp-loongarch64-linux-gnu_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/cpp-loongarch64-linux-gnu_16.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/binutils-common_2.47.50.20261021-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-date-time1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/binutils_2.47.50.20261021-1_loong64.deb' dpkg-name: info: moved 'gcc-loongarch64-linux-gnu_4%3a16.1.0-3_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/gcc-loongarch64-linux-gnu_16.1.0-3_loong64.deb' dpkg-name: info: moved 'file_1%3a5.47-4_loong64.deb' to '/srv/rebuilderd/tmp/tmpny1gbwky/file_5.47-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/findutils_4.11.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/adduser_3.159_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libboost-container1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/fonts-lmodern_2.005-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/debhelper_14.5_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/gcc-16_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/grep_3.12-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpny1gbwky/libabsl20260526_20260526.0-2+b1_loong64.deb' Get:1 http://deb.debian.org/debian unstable/main loong64 libctf-nobfd0 loong64 2.47.50.20261021-1 [165 kB] Get:2 http://deb.debian.org/debian unstable/main loong64 libctf0 loong64 2.47.50.20261021-1 [98.2 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 libboost-numpy-dev loong64 1.92.0.1 [3092 B] Get:4 http://deb.debian.org/debian unstable/main loong64 libboost-program-options-dev loong64 1.92.0.1 [3068 B] Get:5 http://deb.debian.org/debian unstable/main loong64 libboost-python-dev loong64 1.92.0.1 [3352 B] Get:6 http://deb.debian.org/debian unstable/main loong64 libboost-regex-dev loong64 1.92.0.1 [3320 B] Get:7 http://deb.debian.org/debian unstable/main loong64 libboost-thread-dev loong64 1.92.0.1 [3080 B] Get:8 http://deb.debian.org/debian unstable/main loong64 libboost-iostreams1.92-dev loong64 1.92.0-4+b1 [325 kB] Get:9 http://deb.debian.org/debian unstable/main loong64 libboost-iostreams1.92.0 loong64 1.92.0-4+b1 [247 kB] Get:10 http://deb.debian.org/debian unstable/main loong64 libboost-math1.92-dev loong64 1.92.0-4+b1 [1311 kB] Get:11 http://deb.debian.org/debian unstable/main loong64 libboost-math1.92.0 loong64 1.92.0-4+b1 [544 kB] Get:12 http://deb.debian.org/debian unstable/main loong64 libboost-numpy1.92-dev loong64 1.92.0-4+b1 [291 kB] Get:13 http://deb.debian.org/debian unstable/main loong64 libboost-numpy1.92.0 loong64 1.92.0-4+b1 [236 kB] Get:14 http://deb.debian.org/debian unstable/main loong64 libboost-program-options1.92-dev loong64 1.92.0-4+b1 [892 kB] Get:15 http://deb.debian.org/debian unstable/main loong64 libboost-program-options1.92.0 loong64 1.92.0-4+b1 [330 kB] Get:16 http://deb.debian.org/debian unstable/main loong64 libboost-python1.92-dev loong64 1.92.0-4+b1 [659 kB] Get:17 http://deb.debian.org/debian unstable/main loong64 libboost-python1.92.0 loong64 1.92.0-4+b1 [299 kB] Get:18 http://deb.debian.org/debian unstable/main loong64 libboost-random1.92-dev loong64 1.92.0-4+b1 [277 kB] Get:19 http://deb.debian.org/debian unstable/main loong64 libboost-random1.92.0 loong64 1.92.0-4+b1 [235 kB] Get:20 http://deb.debian.org/debian unstable/main loong64 libboost-regex1.92-dev loong64 1.92.0-4+b1 [638 kB] Get:21 http://deb.debian.org/debian unstable/main loong64 libboost-regex1.92.0 loong64 1.92.0-4+b1 [314 kB] Get:22 http://deb.debian.org/debian unstable/main loong64 libboost-serialization1.92-dev loong64 1.92.0-4+b1 [791 kB] Get:23 http://deb.debian.org/debian unstable/main loong64 libboost-serialization1.92.0 loong64 1.92.0-4+b1 [330 kB] Get:24 http://deb.debian.org/debian unstable/main loong64 libboost-test1.92-dev loong64 1.92.0-4+b1 [2633 kB] Get:25 http://deb.debian.org/debian unstable/main loong64 libboost-test1.92.0 loong64 1.92.0-4+b1 [436 kB] Get:26 http://deb.debian.org/debian unstable/main loong64 libboost-thread1.92-dev loong64 1.92.0-4+b1 [378 kB] Get:27 http://deb.debian.org/debian unstable/main loong64 libboost-thread1.92.0 loong64 1.92.0-4+b1 [257 kB] Get:28 http://deb.debian.org/debian unstable/main loong64 libboost1.92-dev loong64 1.92.0-4+b1 [11.6 MB] Get:29 http://deb.debian.org/debian unstable/main loong64 libbrotli-dev loong64 1.2.0-4.1 [698 kB] Get:30 http://deb.debian.org/debian unstable/main loong64 libbrotli1 loong64 1.2.0-4.1 [312 kB] Get:31 http://deb.debian.org/debian unstable/main loong64 libbz2-1.0 loong64 1.0.8-6+b2 [39.8 kB] Get:32 http://deb.debian.org/debian unstable/main loong64 libbz2-dev loong64 1.0.8-6+b2 [74.6 kB] Get:33 http://deb.debian.org/debian unstable/main loong64 libcairo-gobject2 loong64 1.18.4-3+b1 [129 kB] Get:34 http://deb.debian.org/debian unstable/main loong64 libcairo-script-interpreter2 loong64 1.18.4-3+b1 [61.3 kB] Get:35 http://deb.debian.org/debian unstable/main loong64 libcairo2 loong64 1.18.4-3+b1 [530 kB] Get:36 http://deb.debian.org/debian unstable/main loong64 libcairo2-dev loong64 1.18.4-3+b1 [41.8 kB] Get:37 http://deb.debian.org/debian unstable/main loong64 libcatch2-dev loong64 3.7.1-0.6+b2 [1994 kB] Get:38 http://deb.debian.org/debian unstable/main loong64 libdebconfclient0 loong64 0.283 [7648 B] Get:39 http://deb.debian.org/debian unstable/main loong64 libcommons-parent-java all 56-1 [10.8 kB] Get:40 http://deb.debian.org/debian unstable/main loong64 libcurl4t64 loong64 8.23.0-1 [435 kB] Get:41 http://deb.debian.org/debian unstable/main loong64 libdav1d7 loong64 1.5.4-1 [286 kB] Get:42 http://deb.debian.org/debian unstable/main loong64 libdebhelper-perl all 14.5 [77.7 kB] Get:43 http://deb.debian.org/debian unstable/main loong64 libdpkg-perl all 1.23.11 [650 kB] Get:44 http://deb.debian.org/debian unstable/main loong64 libcom-err2 loong64 1.47.4-1+b2 [19.4 kB] Get:45 http://deb.debian.org/debian unstable/main loong64 libeigen3-dev all 5.0.1-3 [1192 kB] Get:46 http://deb.debian.org/debian unstable/main loong64 libelf1t64 loong64 0.196-1 [61.7 kB] Get:47 http://deb.debian.org/debian unstable/main loong64 libexpat1 loong64 2.9.0-1 [124 kB] Get:48 http://deb.debian.org/debian unstable/main loong64 libexpat1-dev loong64 2.9.0-1 [346 kB] Get:49 http://deb.debian.org/debian unstable/main loong64 libfftw3-double3 loong64 3.3.11-1 [364 kB] Get:50 http://deb.debian.org/debian unstable/main loong64 libfmt11 loong64 11.1.1+ds1-2 [86.4 kB] Get:51 http://deb.debian.org/debian unstable/main loong64 libfontconfig-dev loong64 2.17.1-5 [373 kB] Get:52 http://deb.debian.org/debian unstable/main loong64 libfontconfig1 loong64 2.17.1-5 [137 kB] Get:53 http://deb.debian.org/debian unstable/main loong64 libfreetype-dev loong64 2.14.3+dfsg-3 [1165 kB] Get:54 http://deb.debian.org/debian unstable/main loong64 libfreetype6 loong64 2.14.3+dfsg-3 [486 kB] Get:55 http://deb.debian.org/debian unstable/main loong64 libfribidi0 loong64 1.0.16-5+b1 [26.6 kB] Get:56 http://deb.debian.org/debian unstable/main loong64 libcc1-0 loong64 16.2.0-4 [41.3 kB] Get:57 http://deb.debian.org/debian unstable/main loong64 libgcc-16-dev loong64 16.2.0-4 [4952 kB] Get:58 http://deb.debian.org/debian unstable/main loong64 libgcc-s1 loong64 16.2.0-4 [104 kB] Get:59 http://deb.debian.org/debian unstable/main loong64 libgfortran5 loong64 16.2.0-4 [414 kB] Get:60 http://deb.debian.org/debian unstable/main loong64 libgomp1 loong64 16.2.0-4 [138 kB] Get:61 http://deb.debian.org/debian unstable/main loong64 libgdbm-compat4t64 loong64 1.26-1+b2 [52.1 kB] Get:62 http://deb.debian.org/debian unstable/main loong64 libgdbm6t64 loong64 1.26-1+b2 [78.7 kB] Get:63 http://deb.debian.org/debian unstable/main loong64 libgdk-pixbuf-2.0-0 loong64 2.44.8+dfsg-1 [95.7 kB] Get:64 http://deb.debian.org/debian unstable/main loong64 libgdk-pixbuf2.0-common all 2.44.8+dfsg-1 [316 kB] Get:65 http://deb.debian.org/debian unstable/main loong64 libgio-2.0-dev loong64 2.90.1-2 [4088 kB] Get:66 http://deb.debian.org/debian unstable/main loong64 libgio-2.0-dev-bin loong64 2.90.1-2 [151 kB] Get:67 http://deb.debian.org/debian unstable/main loong64 libgirepository-2.0-0 loong64 2.90.1-2 [124 kB] Get:68 http://deb.debian.org/debian unstable/main loong64 libglib2.0-0t64 loong64 2.90.1-2 [1521 kB] Get:69 http://deb.debian.org/debian unstable/main loong64 libglib2.0-bin loong64 2.90.1-2 [113 kB] Get:70 http://deb.debian.org/debian unstable/main loong64 libglib2.0-data all 2.90.1-2 [1329 kB] Get:71 http://deb.debian.org/debian unstable/main loong64 libglib2.0-dev loong64 2.90.1-2 [39.5 kB] Get:72 http://deb.debian.org/debian unstable/main loong64 libglib2.0-dev-bin loong64 2.90.1-2 [38.8 kB] Get:73 http://deb.debian.org/debian unstable/main loong64 libc-bin loong64 2.43-7 [571 kB] Get:74 http://deb.debian.org/debian unstable/main loong64 libc-dev-bin loong64 2.43-7 [38.8 kB] Get:75 http://deb.debian.org/debian unstable/main loong64 libc-gconv-modules-extra loong64 2.43-7 [1157 kB] Get:76 http://deb.debian.org/debian unstable/main loong64 libc6 loong64 2.43-7 [1357 kB] Get:77 http://deb.debian.org/debian unstable/main loong64 libc6-dev loong64 2.43-7 [2935 kB] Get:78 http://deb.debian.org/debian unstable/main loong64 libglycin-2-0 loong64 2.2.3+ds-1 [1415 kB] Get:79 http://deb.debian.org/debian unstable/main loong64 libgmp10 loong64 2:6.3.0+dfsg-5+b2 [567 kB] Get:80 http://deb.debian.org/debian unstable/main loong64 libgraphite2-3 loong64 1.3.15-2 [73.9 kB] Get:81 http://deb.debian.org/debian unstable/main loong64 libharfbuzz-subset0 loong64 12.3.2-2+b2 [559 kB] Get:82 http://deb.debian.org/debian unstable/main loong64 libharfbuzz0b loong64 12.3.2-2+b2 [505 kB] Get:83 http://deb.debian.org/debian unstable/main loong64 libgssapi-krb5-2 loong64 1.22.1-3 [137 kB] Get:84 http://deb.debian.org/debian unstable/main loong64 libbsd0 loong64 0.12.2-3 [131 kB] Get:85 http://deb.debian.org/debian unstable/main loong64 libcap-ng0 loong64 0.9.6-1+b1 [19.3 kB] Get:86 http://deb.debian.org/debian unstable/main loong64 libcap2 loong64 1:2.78-1+b1 [28.1 kB] Get:87 http://deb.debian.org/debian unstable/main loong64 libcommons-logging-java all 1.4.0-1 [72.9 kB] Get:88 http://deb.debian.org/debian unstable/main loong64 libdatrie1 loong64 0.2.14-2 [39.7 kB] Get:89 http://deb.debian.org/debian unstable/main loong64 libde265-0 loong64 1.1.3-1+b1 [173 kB] Get:90 http://deb.debian.org/debian unstable/main loong64 libdeflate0 loong64 1.25-1 [36.1 kB] Get:91 http://deb.debian.org/debian unstable/main loong64 libffi-dev loong64 3.8.0-2 [102 kB] Get:92 http://deb.debian.org/debian unstable/main loong64 libffi8 loong64 3.8.0-2 [26.3 kB] Get:93 http://deb.debian.org/debian unstable/main loong64 libfontenc1 loong64 1:1.1.8-1+b3 [23.4 kB] Get:94 http://deb.debian.org/debian unstable/main loong64 libgav1-2 loong64 0.20.0-2+b2 [333 kB] Get:95 http://deb.debian.org/debian unstable/main loong64 libfontbox-java all 1:1.8.17-1 [213 kB] Get:96 http://deb.debian.org/debian unstable/main loong64 libcrypt1 loong64 1:4.5.2+20251210-1 [94.8 kB] Get:97 http://deb.debian.org/debian unstable/main loong64 libcoordgen-dev loong64 3.0.2-4 [45.8 kB] Get:98 http://deb.debian.org/debian unstable/main loong64 libcoordgen3 loong64 3.0.2-4 [201 kB] Get:99 http://deb.debian.org/debian unstable/main loong64 libfile-stripnondeterminism-perl all 1.15.1-1 [17.1 kB] Get:100 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libdb5.3t64 loong64 5.3.28+dfsg2-11+b1 [711 kB] Fetched 58.2 MB in 1s (95.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfmt11_11.1.1+ds1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libc6-dev_2.43-7_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-program-options1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libbrotli1_1.2.0-4.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libbrotli-dev_1.2.0-4.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcatch2-dev_3.7.1-0.6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libdeflate0_1.25-1_loong64.deb' dpkg-name: warning: 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'/srv/rebuilderd/tmp/tmpe4hjbviy/libglib2.0-dev-bin_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcairo-gobject2_1.18.4-3+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfribidi0_1.0.16-5+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgcc-16-dev_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-python1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgssapi-krb5-2_1.22.1-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgraphite2-3_1.3.15-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-thread1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcairo2-dev_1.18.4-3+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libglib2.0-dev_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-test1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libbz2-dev_1.0.8-6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-iostreams1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libctf0_2.47.50.20261021-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libelf1t64_0.196-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcoordgen-dev_3.0.2-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgfortran5_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libc6_2.43-7_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libdb5.3t64_5.3.28+dfsg2-11+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-thread-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libdebconfclient0_0.283_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfreetype-dev_2.14.3+dfsg-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libc-gconv-modules-extra_2.43-7_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfreetype6_2.14.3+dfsg-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libdav1d7_1.5.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-regex-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libglib2.0-data_2.90.1-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libctf-nobfd0_2.47.50.20261021-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcommons-parent-java_56-1_all.deb' dpkg-name: 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'libfontenc1_1%3a1.1.8-1+b3_loong64.deb' to '/srv/rebuilderd/tmp/tmpe4hjbviy/libfontenc1_1.1.8-1+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libffi-dev_3.8.0-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgirepository-2.0-0_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgdbm6t64_1.26-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libdatrie1_0.2.14-2_loong64.deb' dpkg-name: info: moved 'libcrypt1_1%3a4.5.2+20251210-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpe4hjbviy/libcrypt1_4.5.2+20251210-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcairo-script-interpreter2_1.18.4-3+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgio-2.0-dev_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfontconfig1_2.17.1-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-test1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libglib2.0-bin_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcurl4t64_8.23.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcoordgen3_3.0.2-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcc1-0_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-regex1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libffi8_3.8.0-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libexpat1_2.9.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgcc-s1_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-random1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libexpat1-dev_2.9.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libbsd0_0.12.2-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgio-2.0-dev-bin_2.90.1-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-numpy-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libbz2-1.0_1.0.8-6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfontconfig-dev_2.17.1-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgdk-pixbuf2.0-common_2.44.8+dfsg-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcairo2_1.18.4-3+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgdbm-compat4t64_1.26-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libc-dev-bin_2.43-7_loong64.deb' dpkg-name: info: moved 'libfontbox-java_1%3a1.8.17-1_all.deb' to '/srv/rebuilderd/tmp/tmpe4hjbviy/libfontbox-java_1.8.17-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-math1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-serialization1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-thread1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libharfbuzz-subset0_12.3.2-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-program-options-dev_1.92.0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgomp1_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcap-ng0_0.9.6-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost-regex1.92.0_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfftw3-double3_3.3.11-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libglycin-2-0_2.2.3+ds-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgav1-2_0.20.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libfile-stripnondeterminism-perl_1.15.1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libgdk-pixbuf-2.0-0_2.44.8+dfsg-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libcommons-logging-java_1.4.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libboost1.92-dev_1.92.0-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe4hjbviy/libeigen3-dev_5.0.1-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main loong64 libmagic-mgc loong64 1:5.47-4 [345 kB] Get:2 http://deb.debian.org/debian unstable/main loong64 libmagic1t64 loong64 1:5.47-4 [112 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 libitm1 loong64 16.2.0-4 [24.8 kB] Get:4 http://deb.debian.org/debian unstable/main loong64 liblsan0 loong64 16.2.0-4 [1251 kB] Get:5 http://deb.debian.org/debian unstable/main loong64 libhwloc15 loong64 2.15.0-2 [155 kB] Get:6 http://deb.debian.org/debian unstable/main loong64 libicu78 loong64 78.3-2 [9977 kB] Get:7 http://deb.debian.org/debian unstable/main loong64 libmagickcore-7.q16-10 loong64 8:7.1.2.34+dfsg1-1 [1860 kB] Get:8 http://deb.debian.org/debian unstable/main loong64 libmagickwand-7.q16-10 loong64 8:7.1.2.34+dfsg1-1 [323 kB] Get:9 http://deb.debian.org/debian unstable/main loong64 libinchi-dev loong64 1.07.3+dfsg-2+b1 [19.7 kB] Get:10 http://deb.debian.org/debian unstable/main loong64 libinchi1.07 loong64 1.07.3+dfsg-2+b1 [545 kB] Get:11 http://deb.debian.org/debian unstable/main loong64 libisl23 loong64 0.28-1 [667 kB] Get:12 http://deb.debian.org/debian unstable/main loong64 libjansson4 loong64 2.15.1-1 [66.2 kB] Get:13 http://deb.debian.org/debian unstable/main loong64 libjbig0 loong64 2.1-6.1+b3 [31.9 kB] Get:14 http://deb.debian.org/debian unstable/main loong64 libjxl0.11 loong64 0.11.2-5.1 [872 kB] Get:15 http://deb.debian.org/debian unstable/main loong64 libkeyutils1 loong64 1.6.3-6+b2 [9524 B] Get:16 http://deb.debian.org/debian unstable/main loong64 libk5crypto3 loong64 1.22.1-3 [81.9 kB] Get:17 http://deb.debian.org/debian unstable/main loong64 libkrb5-3 loong64 1.22.1-3 [342 kB] Get:18 http://deb.debian.org/debian unstable/main loong64 libkrb5support0 loong64 1.22.1-3 [31.4 kB] Get:19 http://deb.debian.org/debian unstable/main loong64 liblapack3 loong64 3.12.1-8 [1876 kB] Get:20 http://deb.debian.org/debian unstable/main loong64 liblcms2-2 loong64 2.19.1-1 [168 kB] Get:21 http://deb.debian.org/debian unstable/main loong64 libheif-plugin-dav1d loong64 1.23.6-2 [21.1 kB] Get:22 http://deb.debian.org/debian unstable/main loong64 libheif-plugin-libde265 loong64 1.23.6-2 [18.9 kB] Get:23 http://deb.debian.org/debian unstable/main loong64 libheif1 loong64 1.23.6-2 [744 kB] Get:24 http://deb.debian.org/debian unstable/main loong64 libice-dev loong64 2:1.1.1-1+b2 [137 kB] Get:25 http://deb.debian.org/debian unstable/main loong64 libice6 loong64 2:1.1.1-1+b2 [65.2 kB] Get:26 http://deb.debian.org/debian unstable/main loong64 libidn2-0 loong64 2.3.8-5 [109 kB] Get:27 http://deb.debian.org/debian unstable/main loong64 libimagequant0 loong64 4.4.1-1+b2 [225 kB] Get:28 http://deb.debian.org/debian unstable/main loong64 libio-pty-perl loong64 1:1.31-1+b1 [38.4 kB] Get:29 http://deb.debian.org/debian unstable/main loong64 libipc-run-perl all 20260402.0-1 [112 kB] Get:30 http://deb.debian.org/debian unstable/main loong64 libjpeg62-turbo loong64 1:3.1.3-4 [208 kB] Get:31 http://deb.debian.org/debian unstable/main loong64 libjson-perl all 4.10000-1 [87.5 kB] Get:32 http://deb.debian.org/debian unstable/main loong64 libjsoncpp26 loong64 1.9.8-2 [83.2 kB] Get:33 http://deb.debian.org/debian unstable/main loong64 liblqr-1-0 loong64 0.4.2-2.2+b1 [30.4 kB] Get:34 http://deb.debian.org/debian unstable/main loong64 libmd0 loong64 1.3.0-1 [40.8 kB] Get:35 http://deb.debian.org/debian unstable/main loong64 libpdfbox-java all 1:1.8.17-1 [5530 kB] Get:36 http://deb.debian.org/debian unstable/main loong64 libpipeline1 loong64 1.5.8-3 [48.6 kB] Get:37 http://deb.debian.org/debian unstable/main loong64 libpng-dev loong64 1.6.59-1 [517 kB] Get:38 http://deb.debian.org/debian unstable/main loong64 libpng16-16t64 loong64 1.6.59-1 [286 kB] Get:39 http://deb.debian.org/debian unstable/main loong64 libpsl5t64 loong64 0.23.3-1 [61.6 kB] Get:40 http://deb.debian.org/debian unstable/main loong64 libraw25 loong64 0.22.1-1 [427 kB] Get:41 http://deb.debian.org/debian unstable/main loong64 libltdl7 loong64 2.6.2-3 [427 kB] Get:42 http://deb.debian.org/debian unstable/main loong64 liblz4-1 loong64 1.10.0-10 [61.7 kB] Get:43 http://deb.debian.org/debian unstable/main loong64 liblzo2-2 loong64 2.10-3+b2 [54.6 kB] Get:44 http://deb.debian.org/debian unstable/main loong64 libmpc3 loong64 1.3.1-3 [56.2 kB] Get:45 http://deb.debian.org/debian unstable/main loong64 libmpfi0 loong64 1.5.5+ds-3 [40.4 kB] Get:46 http://deb.debian.org/debian unstable/main loong64 libmpfr6 loong64 4.2.2-3 [664 kB] Get:47 http://deb.debian.org/debian unstable/main loong64 libncursesw6 loong64 6.6+20260608-2 [137 kB] Get:48 http://deb.debian.org/debian unstable/main loong64 libnettle8t64 loong64 3.10.2-1+b1 [313 kB] Get:49 http://deb.debian.org/debian unstable/main loong64 libnghttp2-14 loong64 1.70.0-1 [93.5 kB] Get:50 http://deb.debian.org/debian unstable/main loong64 libnghttp3-9 loong64 1.17.0-1 [68.5 kB] Get:51 http://deb.debian.org/debian unstable/main loong64 libngtcp2-16 loong64 1.24.0-1 [144 kB] Get:52 http://deb.debian.org/debian unstable/main loong64 libngtcp2-crypto-ossl0 loong64 1.24.0-1 [25.9 kB] Get:53 http://deb.debian.org/debian unstable/main loong64 libnuma1 loong64 2.0.19-1+b2 [23.0 kB] Get:54 http://deb.debian.org/debian unstable/main loong64 libopenjp2-7 loong64 2.5.4-1.1 [204 kB] Get:55 http://deb.debian.org/debian unstable/main loong64 libldap2 loong64 2.6.14+dfsg-2 [188 kB] Get:56 http://deb.debian.org/debian unstable/main loong64 libpam-modules loong64 1.7.0-8 [168 kB] Get:57 http://deb.debian.org/debian unstable/main loong64 libpam-modules-bin loong64 1.7.0-8 [46.6 kB] Get:58 http://deb.debian.org/debian unstable/main loong64 libpam-runtime all 1.7.0-8 [246 kB] Get:59 http://deb.debian.org/debian unstable/main loong64 libpam0g loong64 1.7.0-8 [67.6 kB] Get:60 http://deb.debian.org/debian unstable/main loong64 libpango-1.0-0 loong64 1.58.2-1 [230 kB] Get:61 http://deb.debian.org/debian unstable/main loong64 libpangocairo-1.0-0 loong64 1.58.2-1 [33.5 kB] Get:62 http://deb.debian.org/debian unstable/main loong64 libpangoft2-1.0-0 loong64 1.58.2-1 [51.9 kB] Get:63 http://deb.debian.org/debian unstable/main loong64 libperl5.42 loong64 5.42.3-1 [4194 kB] Get:64 http://deb.debian.org/debian unstable/main loong64 libpixman-1-0 loong64 0.46.4-1+b2 [163 kB] Get:65 http://deb.debian.org/debian unstable/main loong64 libpixman-1-dev loong64 0.46.4-1+b2 [12.0 kB] Get:66 http://deb.debian.org/debian unstable/main loong64 libpkgconf7 loong64 2.5.1-4 [48.2 kB] Get:67 http://deb.debian.org/debian unstable/main loong64 libpq-dev loong64 18.6-3 [317 kB] Get:68 http://deb.debian.org/debian unstable/main loong64 libpq5 loong64 18.6-3 [266 kB] Get:69 http://deb.debian.org/debian unstable/main loong64 libpotrace0 loong64 1.16-2+b3 [23.7 kB] Get:70 http://deb.debian.org/debian unstable/main loong64 libproc2-1 loong64 2:4.0.7-1 [69.8 kB] Get:71 http://deb.debian.org/debian unstable/main loong64 libpython3-all-dev loong64 3.14.8-1 [1020 B] Get:72 http://deb.debian.org/debian unstable/main loong64 libpython3-dev loong64 3.14.8-1 [8752 B] Get:73 http://deb.debian.org/debian unstable/main loong64 libpython3-stdlib loong64 3.14.8-1 [8520 B] Get:74 http://deb.debian.org/debian unstable/main loong64 libpython3.14 loong64 3.14.10-1 [2368 kB] Get:75 http://deb.debian.org/debian unstable/main loong64 libpython3.14-dev loong64 3.14.10-1 [15.9 MB] Get:76 http://deb.debian.org/debian unstable/main loong64 libpython3.14-minimal loong64 3.14.10-1 [903 kB] Get:77 http://deb.debian.org/debian unstable/main loong64 libpython3.14-stdlib loong64 3.14.10-1 [2316 kB] Get:78 http://deb.debian.org/debian unstable/main loong64 libpython3.15 loong64 3.15.2-1 [2492 kB] Get:79 http://deb.debian.org/debian unstable/main loong64 libpython3.15-dev loong64 3.15.2-1 [16.8 MB] Get:80 http://deb.debian.org/debian unstable/main loong64 libpython3.15-minimal loong64 3.15.2-1 [928 kB] Get:81 http://deb.debian.org/debian unstable/main loong64 libpython3.15-stdlib loong64 3.15.2-1 [3032 kB] Get:82 http://deb.debian.org/debian unstable/main loong64 libraqm0 loong64 0.10.5-1 [13.4 kB] Get:83 http://deb.debian.org/debian unstable/main loong64 libmaeparser-dev loong64 1.3.3-4+b2 [13.0 kB] Get:84 http://deb.debian.org/debian unstable/main loong64 libmaeparser1 loong64 1.3.3-4+b2 [98.2 kB] Get:85 http://deb.debian.org/debian unstable/main loong64 libjs-sphinxdoc all 9.2.0-1 [46.8 kB] Get:86 http://deb.debian.org/debian unstable/main loong64 libkpathsea6 loong64 2026.20260303.78225+ds-5 [157 kB] Get:87 http://deb.debian.org/debian unstable/main loong64 libptexenc1 loong64 2026.20260303.78225+ds-5 [52.0 kB] Get:88 http://deb.debian.org/debian unstable/main loong64 libmount-dev loong64 2.42.4-1 [27.0 kB] Get:89 http://deb.debian.org/debian unstable/main loong64 libmount1 loong64 2.42.4-1 [220 kB] Get:90 http://deb.debian.org/debian unstable/main loong64 liblzma-dev loong64 5.8.4-1 [492 kB] Get:91 http://deb.debian.org/debian unstable/main loong64 liblzma5 loong64 5.8.4-1 [341 kB] Get:92 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 liblerc4 loong64 4.2.0+ds-1 [185 kB] Get:93 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpaper-utils loong64 2.2.5-0.4 [15.7 kB] Get:94 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpaper2 loong64 2.2.5-0.4 [17.0 kB] Get:95 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 liblua5.4-0 loong64 5.4.9-1 [141 kB] Get:96 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpcre2-16-0 loong64 10.48-3.1 [283 kB] Get:97 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpcre2-32-0 loong64 10.48-3.1 [271 kB] Get:98 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpcre2-8-0 loong64 10.48-3.1 [299 kB] Get:99 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpcre2-dev loong64 10.48-3.1 [1973 kB] Get:100 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 libpcre2-posix3 loong64 10.48-3.1 [67.3 kB] Fetched 85.4 MB in 1s (104 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblqr-1-0_0.4.2-2.2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpango-1.0-0_1.58.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblzma-dev_5.8.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libinchi-dev_1.07.3+dfsg-2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.14-stdlib_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmount1_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpangocairo-1.0-0_1.58.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpaper2_2.2.5-0.4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblerc4_4.2.0+ds-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.14-dev_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libkeyutils1_1.6.3-6+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.15-stdlib_3.15.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpcre2-32-0_10.48-3.1_loong64.deb' dpkg-name: info: moved 'libmagickwand-7.q16-10_8%3a7.1.2.34+dfsg1-1_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libmagickwand-7.q16-10_7.1.2.34+dfsg1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libngtcp2-crypto-ossl0_1.24.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libicu78_78.3-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libimagequant0_4.4.1-1+b2_loong64.deb' dpkg-name: info: moved 'libice-dev_2%3a1.1.1-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libice-dev_1.1.1-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libipc-run-perl_20260402.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblua5.4-0_5.4.9-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjansson4_2.15.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libkrb5support0_1.22.1-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libraqm0_0.10.5-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjxl0.11_0.11.2-5.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpangoft2-1.0-0_1.58.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmpfi0_1.5.5+ds-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblzo2-2_2.10-3+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjs-sphinxdoc_9.2.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblz4-1_1.10.0-10_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblapack3_3.12.1-8_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libnuma1_2.0.19-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmd0_1.3.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpng16-16t64_1.6.59-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmpfr6_4.2.2-3_loong64.deb' dpkg-name: info: moved 'libmagic-mgc_1%3a5.47-4_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libmagic-mgc_5.47-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpam-modules_1.7.0-8_loong64.deb' dpkg-name: info: moved 'libjpeg62-turbo_1%3a3.1.3-4_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libjpeg62-turbo_3.1.3-4_loong64.deb' dpkg-name: info: moved 'libpdfbox-java_1%3a1.8.17-1_all.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libpdfbox-java_1.8.17-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmpc3_1.3.1-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpng-dev_1.6.59-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3-stdlib_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libraw25_0.22.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libk5crypto3_1.22.1-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpcre2-dev_10.48-3.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmaeparser1_1.3.3-4+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjbig0_2.1-6.1+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpam0g_1.7.0-8_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpotrace0_1.16-2+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpixman-1-dev_0.46.4-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpcre2-16-0_10.48-3.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpaper-utils_2.2.5-0.4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libltdl7_2.6.2-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjson-perl_4.10000-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libnettle8t64_3.10.2-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.15-minimal_3.15.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.15_3.15.2-1_loong64.deb' dpkg-name: info: moved 'libmagickcore-7.q16-10_8%3a7.1.2.34+dfsg1-1_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libmagickcore-7.q16-10_7.1.2.34+dfsg1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpcre2-posix3_10.48-3.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libldap2_2.6.14+dfsg-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libisl23_0.28-1_loong64.deb' dpkg-name: info: moved 'libio-pty-perl_1%3a1.31-1+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libio-pty-perl_1.31-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libnghttp2-14_1.70.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpq-dev_18.6-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblsan0_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libheif-plugin-libde265_1.23.6-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libopenjp2-7_2.5.4-1.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libitm1_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libkrb5-3_1.22.1-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpq5_18.6-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libperl5.42_5.42.3-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libjsoncpp26_1.9.8-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblcms2-2_2.19.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libidn2-0_2.3.8-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpam-modules-bin_1.7.0-8_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libptexenc1_2026.20260303.78225+ds-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpsl5t64_0.23.3-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3-all-dev_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libngtcp2-16_1.24.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libinchi1.07_1.07.3+dfsg-2+b1_loong64.deb' dpkg-name: info: moved 'libmagic1t64_1%3a5.47-4_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libmagic1t64_5.47-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libheif-plugin-dav1d_1.23.6-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpixman-1-0_0.46.4-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3-dev_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpcre2-8-0_10.48-3.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpkgconf7_2.5.1-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpipeline1_1.5.8-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/liblzma5_5.8.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.14-minimal_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.14_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpython3.15-dev_3.15.2-1_loong64.deb' dpkg-name: info: moved 'libice6_2%3a1.1.1-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libice6_1.1.1-1+b2_loong64.deb' dpkg-name: info: moved 'libproc2-1_2%3a4.0.7-1_loong64.deb' to '/srv/rebuilderd/tmp/tmp_cy6jest/libproc2-1_4.0.7-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmount-dev_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libheif1_1.23.6-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libncursesw6_6.6+20260608-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libhwloc15_2.15.0-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libkpathsea6_2026.20260303.78225+ds-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libpam-runtime_1.7.0-8_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libnghttp3-9_1.17.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy6jest/libmaeparser-dev_1.3.3-4+b2_loong64.deb' Get:1 http://deb.debian.org/debian unstable/main loong64 native-architecture all 0.2.6 [2264 B] Get:2 http://deb.debian.org/debian unstable/main loong64 libsframe3 loong64 2.47.50.20261021-1 [86.1 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 libsasl2-2 loong64 2.1.28+dfsg1-12 [56.5 kB] Get:4 http://deb.debian.org/debian unstable/main loong64 libsasl2-modules-db loong64 2.1.28+dfsg1-12 [17.9 kB] Get:5 http://deb.debian.org/debian unstable/main loong64 libstdc++-16-dev loong64 16.2.0-4 [5779 kB] Get:6 http://deb.debian.org/debian unstable/main loong64 libstdc++6 loong64 16.2.0-4 [750 kB] Get:7 http://deb.debian.org/debian unstable/main loong64 libtsan2 loong64 16.2.0-4 [2507 kB] Get:8 http://deb.debian.org/debian unstable/main loong64 libubsan1 loong64 16.2.0-4 [1115 kB] Get:9 http://deb.debian.org/debian unstable/main loong64 pandoc-data all 3.11-1 [536 kB] Get:10 http://deb.debian.org/debian unstable/main loong64 librsvg2-2 loong64 2.63.3+dfsg-1 [1617 kB] Get:11 http://deb.debian.org/debian unstable/main loong64 librsvg2-bin loong64 2.63.3+dfsg-1 [1734 kB] Get:12 http://deb.debian.org/debian unstable/main loong64 libseccomp2 loong64 2.6.1-1+b2 [50.0 kB] Get:13 http://deb.debian.org/debian unstable/main loong64 libselinux-dev loong64 3.11-2.1+b1 [309 kB] Get:14 http://deb.debian.org/debian unstable/main loong64 libselinux1 loong64 3.11-2.1+b1 [87.0 kB] Get:15 http://deb.debian.org/debian unstable/main loong64 libsemanage-common all 3.11-1 [7148 B] Get:16 http://deb.debian.org/debian unstable/main loong64 libsemanage2 loong64 3.11-1+b2 [90.7 kB] Get:17 http://deb.debian.org/debian unstable/main loong64 libsepol-dev loong64 3.11-1 [1061 kB] Get:18 http://deb.debian.org/debian unstable/main loong64 libsepol2 loong64 3.11-1 [295 kB] Get:19 http://deb.debian.org/debian unstable/main loong64 libsm-dev loong64 2:1.2.6-1+b2 [61.0 kB] Get:20 http://deb.debian.org/debian unstable/main loong64 libsm6 loong64 2:1.2.6-1+b2 [37.8 kB] Get:21 http://deb.debian.org/debian unstable/main loong64 libssh2-1t64 loong64 1.11.1-6 [245 kB] Get:22 http://deb.debian.org/debian unstable/main loong64 libtext-charwidth-perl loong64 0.04-12+b1 [9404 B] Get:23 http://deb.debian.org/debian unstable/main loong64 libtext-wrapi18n-perl all 0.06-11 [7788 B] Get:24 http://deb.debian.org/debian unstable/main loong64 libthai-data all 0.1.30-3 [172 kB] Get:25 http://deb.debian.org/debian unstable/main loong64 libthai0 loong64 0.1.30-3 [51.8 kB] Get:26 http://deb.debian.org/debian unstable/main loong64 libtool all 2.6.2-3 [552 kB] Get:27 http://deb.debian.org/debian unstable/main loong64 libunistring5 loong64 1.4.2-1 [483 kB] Get:28 http://deb.debian.org/debian unstable/main loong64 libuv1t64 loong64 1.53.0-1 [156 kB] Get:29 http://deb.debian.org/debian unstable/main loong64 libsharpyuv0 loong64 1.6.0-0.1 [115 kB] Get:30 http://deb.debian.org/debian unstable/main loong64 libwebp7 loong64 1.6.0-0.1 [291 kB] Get:31 http://deb.debian.org/debian unstable/main loong64 libwebpdemux2 loong64 1.6.0-0.1 [114 kB] Get:32 http://deb.debian.org/debian unstable/main loong64 libwebpmux3 loong64 1.6.0-0.1 [127 kB] Get:33 http://deb.debian.org/debian unstable/main loong64 libx11-6 loong64 2:1.8.14-1 [821 kB] Get:34 http://deb.debian.org/debian unstable/main loong64 libx11-data all 2:1.8.14-1 [349 kB] Get:35 http://deb.debian.org/debian unstable/main loong64 libx11-dev loong64 2:1.8.14-1 [1382 kB] Get:36 http://deb.debian.org/debian unstable/main loong64 libxau-dev loong64 1:1.0.11-1+b2 [28.2 kB] Get:37 http://deb.debian.org/debian unstable/main loong64 libxau6 loong64 1:1.0.11-1+b2 [21.0 kB] Get:38 http://deb.debian.org/debian unstable/main loong64 libxaw7 loong64 2:1.0.16-1+b2 [209 kB] Get:39 http://deb.debian.org/debian unstable/main loong64 libxcb-render0 loong64 1.17.0-2+b2 [115 kB] Get:40 http://deb.debian.org/debian unstable/main loong64 libxcb-render0-dev loong64 1.17.0-2+b2 [132 kB] Get:41 http://deb.debian.org/debian unstable/main loong64 libxcb-shm0 loong64 1.17.0-2+b2 [105 kB] Get:42 http://deb.debian.org/debian unstable/main loong64 libxcb-shm0-dev loong64 1.17.0-2+b2 [110 kB] Get:43 http://deb.debian.org/debian unstable/main loong64 libxcb1 loong64 1.17.0-2+b2 [144 kB] Get:44 http://deb.debian.org/debian unstable/main loong64 libxcb1-dev loong64 1.17.0-2+b2 [250 kB] Get:45 http://deb.debian.org/debian unstable/main loong64 libxdmcp-dev loong64 1:1.1.5-2+b1 [53.5 kB] Get:46 http://deb.debian.org/debian unstable/main loong64 libxdmcp6 loong64 1:1.1.5-2+b1 [28.4 kB] Get:47 http://deb.debian.org/debian unstable/main loong64 libxext-dev loong64 2:1.3.4-1+b4 [150 kB] Get:48 http://deb.debian.org/debian unstable/main loong64 libxext6 loong64 2:1.3.4-1+b4 [51.4 kB] Get:49 http://deb.debian.org/debian unstable/main loong64 libxi6 loong64 2:1.8.4-1 [90.0 kB] Get:50 http://deb.debian.org/debian unstable/main loong64 libxml2-16 loong64 2.15.4+dfsg-1+b1 [654 kB] Get:51 http://deb.debian.org/debian unstable/main loong64 libxmu6 loong64 2:1.1.3-4+b1 [58.4 kB] Get:52 http://deb.debian.org/debian unstable/main loong64 libxpm4 loong64 1:3.5.20-1 [58.7 kB] Get:53 http://deb.debian.org/debian unstable/main loong64 libxrender-dev loong64 1:0.9.13-1 [60.1 kB] Get:54 http://deb.debian.org/debian unstable/main loong64 libxrender1 loong64 1:0.9.13-1 [27.9 kB] Get:55 http://deb.debian.org/debian unstable/main loong64 libxt6t64 loong64 1:1.2.1-1.3+b2 [184 kB] Get:56 http://deb.debian.org/debian unstable/main loong64 libyaml-0-2 loong64 0.2.5-2+b1 [55.7 kB] Get:57 http://deb.debian.org/debian unstable/main loong64 libyuv0 loong64 0.0.1974.20261008-1 [143 kB] Get:58 http://deb.debian.org/debian unstable/main loong64 libzstd-dev loong64 1.5.7+dfsg-4 [992 kB] Get:59 http://deb.debian.org/debian unstable/main loong64 libzstd1 loong64 1.5.7+dfsg-4 [285 kB] Get:60 http://deb.debian.org/debian unstable/main loong64 m4 loong64 1.4.21-1 [332 kB] Get:61 http://deb.debian.org/debian unstable/main loong64 make loong64 4.4.1-3+b1 [462 kB] Get:62 http://deb.debian.org/debian unstable/main loong64 man-db loong64 2.13.1-1+b1 [1460 kB] Get:63 http://deb.debian.org/debian unstable/main loong64 mawk loong64 1.3.4.20260302-2 [141 kB] Get:64 http://deb.debian.org/debian unstable/main loong64 media-types all 14.0.0 [30.8 kB] Get:65 http://deb.debian.org/debian unstable/main loong64 libtinfo6 loong64 6.6+20260608-2 [352 kB] Get:66 http://deb.debian.org/debian unstable/main loong64 ncurses-base all 6.6+20260608-2 [276 kB] Get:67 http://deb.debian.org/debian unstable/main loong64 ncurses-bin loong64 6.6+20260608-2 [442 kB] Get:68 http://deb.debian.org/debian unstable/main loong64 netbase all 6.6 [10.3 kB] Get:69 http://deb.debian.org/debian unstable/main loong64 libtbb-dev loong64 2023.1.0-3 [209 kB] Get:70 http://deb.debian.org/debian unstable/main loong64 libtbb12 loong64 2023.1.0-3 [92.7 kB] Get:71 http://deb.debian.org/debian unstable/main loong64 libtbbbind-2-5 loong64 2023.1.0-3 [12.8 kB] Get:72 http://deb.debian.org/debian unstable/main loong64 libtbbmalloc2 loong64 2023.1.0-3 [50.2 kB] Get:73 http://deb.debian.org/debian unstable/main loong64 libssl-dev loong64 3.6.5-1 [5677 kB] Get:74 http://deb.debian.org/debian unstable/main loong64 libssl3t64 loong64 3.6.5-1 [2156 kB] Get:75 http://deb.debian.org/debian unstable/main loong64 openssl loong64 3.6.5-1 [1520 kB] Get:76 http://deb.debian.org/debian unstable/main loong64 openssl-provider-legacy loong64 3.6.5-1 [325 kB] Get:77 http://deb.debian.org/debian unstable/main loong64 pandoc loong64 3.11-1 [36.7 MB] Get:78 http://deb.debian.org/debian unstable/main loong64 libreadline8t64 loong64 8.3-4 [181 kB] Get:79 http://deb.debian.org/debian unstable/main loong64 librhash1 loong64 1.4.6-1.1+b1 [132 kB] Get:80 http://deb.debian.org/debian unstable/main loong64 libringdecomposerlib-dev loong64 1.1.3-2 [86.4 kB] Get:81 http://deb.debian.org/debian unstable/main loong64 login.defs all 1:4.20.3-1 [224 kB] Get:82 http://deb.debian.org/debian unstable/main loong64 libspdlog1.15 loong64 1:1.15.3+ds-1+b3 [102 kB] Get:83 http://deb.debian.org/debian unstable/main loong64 libsqlite3-0 loong64 3.53.4-2 [950 kB] Get:84 http://deb.debian.org/debian unstable/main loong64 libsqlite3-dev loong64 3.53.4-2 [2174 kB] Get:85 http://deb.debian.org/debian unstable/main loong64 libsvtav1enc4 loong64 4.2.0+dfsg-3 [1161 kB] Get:86 http://deb.debian.org/debian unstable/main loong64 libsysprof-capture-4-dev loong64 51.0-2 [97.2 kB] Get:87 http://deb.debian.org/debian unstable/main loong64 libsystemd-shared loong64 262.1-1 [2437 kB] Get:88 http://deb.debian.org/debian unstable/main loong64 libsystemd0 loong64 262.1-1 [465 kB] Get:89 http://deb.debian.org/debian unstable/main loong64 libudev1 loong64 262.1-1 [138 kB] Get:90 http://deb.debian.org/debian unstable/main loong64 libteckit0 loong64 2.5.13+ds-2 [328 kB] Get:91 http://deb.debian.org/debian unstable/main loong64 libsynctex2 loong64 2026.20260303.78225+ds-5 [62.4 kB] Get:92 http://deb.debian.org/debian unstable/main loong64 libtexlua53-5 loong64 2026.20260303.78225+ds-5 [112 kB] Get:93 http://deb.debian.org/debian unstable/main loong64 libtiff6 loong64 4.7.2-1 [373 kB] Get:94 http://deb.debian.org/debian unstable/main loong64 libuchardet0 loong64 0.0.8-2+b2 [69.9 kB] Get:95 http://deb.debian.org/debian unstable/main loong64 libsmartcols1 loong64 2.42.4-1 [149 kB] Get:96 http://deb.debian.org/debian unstable/main loong64 libuuid1 loong64 2.42.4-1 [33.1 kB] Get:97 http://deb.debian.org/debian unstable/main loong64 libxapian30 loong64 1.4.32-1 [1273 kB] Get:98 http://deb.debian.org/debian unstable/main loong64 libxxhash0 loong64 0.8.3-2+b2 [20.5 kB] Get:99 http://deb.debian.org/debian unstable/main loong64 libzzip-0-13t64 loong64 0.13.78+dfsg.1-0.2+b1 [60.8 kB] Get:100 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 linux-libc-dev all 7.2.12-1 [2029 kB] Fetched 88.0 MB in 1s (98.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libzstd-dev_1.5.7+dfsg-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libuuid1_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb-render0_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxxhash0_0.8.3-2+b2_loong64.deb' dpkg-name: info: moved 'libx11-data_2%3a1.8.14-1_all.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libx11-data_1.8.14-1_all.deb' dpkg-name: info: moved 'libxdmcp6_1%3a1.1.5-2+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxdmcp6_1.1.5-2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libselinux1_3.11-2.1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libstdc++-16-dev_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsemanage-common_3.11-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/make_4.4.1-3+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libteckit0_2.5.13+ds-2_loong64.deb' dpkg-name: info: moved 'libsm-dev_2%3a1.2.6-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libsm-dev_1.2.6-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtext-charwidth-perl_0.04-12+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsepol-dev_3.11-1_loong64.deb' dpkg-name: info: moved 'libxrender1_1%3a0.9.13-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxrender1_0.9.13-1_loong64.deb' dpkg-name: info: moved 'libxt6t64_1%3a1.2.1-1.3+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxt6t64_1.2.1-1.3+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsasl2-2_2.1.28+dfsg1-12_loong64.deb' dpkg-name: info: moved 'libxrender-dev_1%3a0.9.13-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxrender-dev_0.9.13-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libuv1t64_1.53.0-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/pandoc_3.11-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtext-wrapi18n-perl_0.06-11_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libselinux-dev_3.11-2.1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/media-types_14.0.0_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsystemd-shared_262.1-1_loong64.deb' dpkg-name: info: moved 'libsm6_2%3a1.2.6-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libsm6_1.2.6-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtinfo6_6.6+20260608-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libreadline8t64_8.3-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtexlua53-5_2026.20260303.78225+ds-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libssl3t64_3.6.5-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtbbbind-2-5_2023.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsharpyuv0_1.6.0-0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libyaml-0-2_0.2.5-2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/openssl-provider-legacy_3.6.5-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/native-architecture_0.2.6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsystemd0_262.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtbb12_2023.1.0-3_loong64.deb' dpkg-name: info: moved 'libxau6_1%3a1.0.11-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxau6_1.0.11-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libzstd1_1.5.7+dfsg-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/librhash1_1.4.6-1.1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsqlite3-dev_3.53.4-2_loong64.deb' dpkg-name: info: moved 'libxext6_2%3a1.3.4-1+b4_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxext6_1.3.4-1+b4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsqlite3-0_3.53.4-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/netbase_6.6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libssl-dev_3.6.5-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/linux-libc-dev_7.2.12-1_all.deb' dpkg-name: info: moved 'libxdmcp-dev_1%3a1.1.5-2+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxdmcp-dev_1.1.5-2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb1_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsframe3_2.47.50.20261021-1_loong64.deb' dpkg-name: info: moved 'libxaw7_2%3a1.0.16-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxaw7_1.0.16-1+b2_loong64.deb' dpkg-name: info: moved 'libx11-6_2%3a1.8.14-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libx11-6_1.8.14-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtiff6_4.7.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libwebp7_1.6.0-0.1_loong64.deb' dpkg-name: info: moved 'libxpm4_1%3a3.5.20-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxpm4_3.5.20-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb-shm0_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libstdc++6_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/man-db_2.13.1-1+b1_loong64.deb' dpkg-name: info: moved 'libxext-dev_2%3a1.3.4-1+b4_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxext-dev_1.3.4-1+b4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtbb-dev_2023.1.0-3_loong64.deb' dpkg-name: info: moved 'libx11-dev_2%3a1.8.14-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libx11-dev_1.8.14-1_loong64.deb' dpkg-name: info: moved 'libxi6_2%3a1.8.4-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxi6_1.8.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/ncurses-base_6.6+20260608-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/m4_1.4.21-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb-shm0-dev_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/librsvg2-bin_2.63.3+dfsg-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/librsvg2-2_2.63.3+dfsg-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtsan2_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libudev1_262.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/mawk_1.3.4.20260302-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb-render0-dev_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsepol2_3.11-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsysprof-capture-4-dev_51.0-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxml2-16_2.15.4+dfsg-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libwebpmux3_1.6.0-0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsynctex2_2026.20260303.78225+ds-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libuchardet0_0.0.8-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtbbmalloc2_2023.1.0-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxcb1-dev_1.17.0-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libthai0_0.1.30-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libtool_2.6.2-3_all.deb' dpkg-name: info: moved 'libxmu6_2%3a1.1.3-4+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxmu6_1.1.3-4+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/openssl_3.6.5-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libthai-data_0.1.30-3_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libunistring5_1.4.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libringdecomposerlib-dev_1.1.3-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsvtav1enc4_4.2.0+dfsg-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/pandoc-data_3.11-1_all.deb' dpkg-name: info: moved 'libspdlog1.15_1%3a1.15.3+ds-1+b3_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libspdlog1.15_1.15.3+ds-1+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libxapian30_1.4.32-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libwebpdemux2_1.6.0-0.1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/ncurses-bin_6.6+20260608-2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libyuv0_0.0.1974.20261008-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsasl2-modules-db_2.1.28+dfsg1-12_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libssh2-1t64_1.11.1-6_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsemanage2_3.11-1+b2_loong64.deb' dpkg-name: info: moved 'login.defs_1%3a4.20.3-1_all.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/login.defs_4.20.3-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libubsan1_16.2.0-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libzzip-0-13t64_0.13.78+dfsg.1-0.2+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libseccomp2_2.6.1-1+b2_loong64.deb' dpkg-name: info: moved 'libxau-dev_1%3a1.0.11-1+b2_loong64.deb' to '/srv/rebuilderd/tmp/tmpest2et4o/libxau-dev_1.0.11-1+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpest2et4o/libsmartcols1_2.42.4-1_loong64.deb' Get:1 http://deb.debian.org/debian unstable/main loong64 python3-alabaster all 1.0.0-2 [20.4 kB] Get:2 http://deb.debian.org/debian unstable/main loong64 preview-latex-style all 13.2-1.1 [350 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 python3-chardet all 5.2.0+dfsg-2 [108 kB] Get:4 http://deb.debian.org/debian unstable/main loong64 python3-commonmark all 0.9.2-1 [45.8 kB] Get:5 http://deb.debian.org/debian unstable/main loong64 python3-jinja2 all 3.1.6-4 [106 kB] Get:6 http://deb.debian.org/debian unstable/main loong64 python3-linkify-it all 2.2.0-1 [20.8 kB] Get:7 http://deb.debian.org/debian unstable/main loong64 python3-markdown-it all 4.2.0-4 [63.8 kB] Get:8 http://deb.debian.org/debian unstable/main loong64 python3-markupsafe loong64 3.0.3-2+b2 [13.8 kB] Get:9 http://deb.debian.org/debian unstable/main loong64 python3-mdit-py-plugins all 0.6.1-1 [39.2 kB] Get:10 http://deb.debian.org/debian unstable/main loong64 python3-mdurl all 0.1.2-2 [9108 B] Get:11 http://deb.debian.org/debian unstable/main loong64 python3-myst-parser all 5.1.0-2 [80.2 kB] Get:12 http://deb.debian.org/debian unstable/main loong64 python3-numpy loong64 1:2.4.6+ds-5+b1 [3920 kB] Get:13 http://deb.debian.org/debian unstable/main loong64 python3-numpy-dev loong64 1:2.4.6+ds-5+b1 [174 kB] Get:14 http://deb.debian.org/debian unstable/main loong64 python3-pandas all 2.3.3+dfsg-6 [2930 kB] Get:15 http://deb.debian.org/debian unstable/main loong64 patch loong64 2.8.1-1 [133 kB] Get:16 http://deb.debian.org/debian unstable/main loong64 perl loong64 5.42.3-1 [266 kB] Get:17 http://deb.debian.org/debian unstable/main loong64 perl-base loong64 5.42.3-1 [1821 kB] Get:18 http://deb.debian.org/debian unstable/main loong64 perl-modules-5.42 all 5.42.3-1 [3213 kB] Get:19 http://deb.debian.org/debian unstable/main loong64 python3-pil loong64 13.0.0-1+b1 [548 kB] Get:20 http://deb.debian.org/debian unstable/main loong64 pkgconf loong64 2.5.1-4 [33.6 kB] Get:21 http://deb.debian.org/debian unstable/main loong64 pkgconf-bin loong64 2.5.1-4 [35.2 kB] Get:22 http://deb.debian.org/debian unstable/main loong64 po-debconf all 1.0.22 [216 kB] Get:23 http://deb.debian.org/debian unstable/main loong64 postgresql-client-18 loong64 18.6-3 [2101 kB] Get:24 http://deb.debian.org/debian unstable/main loong64 postgresql-server-dev-18 loong64 18.6-3 [1628 kB] Get:25 http://deb.debian.org/debian unstable/main loong64 postgresql-client-common all 293 [40.9 kB] Get:26 http://deb.debian.org/debian unstable/main loong64 postgresql-common all 293 [106 kB] Get:27 http://deb.debian.org/debian unstable/main loong64 postgresql-common-dev all 293 [75.2 kB] Get:28 http://deb.debian.org/debian unstable/main loong64 postgresql-server-dev-all all 293 [7980 B] Get:29 http://deb.debian.org/debian unstable/main loong64 procps loong64 2:4.0.7-1 [979 kB] Get:30 http://deb.debian.org/debian unstable/main loong64 python3-pygments all 2.20.0+dfsg-2 [850 kB] Get:31 http://deb.debian.org/debian unstable/main loong64 python3-pytest all 9.1.1-1 [280 kB] Get:32 http://deb.debian.org/debian unstable/main loong64 python-babel-localedata all 2.18.0+git2026-08-12-3 [6375 kB] Get:33 http://deb.debian.org/debian unstable/main loong64 python3-babel all 2.18.0+git2026-08-12-3 [120 kB] Get:34 http://deb.debian.org/debian unstable/main loong64 python3-charset-normalizer loong64 3.4.7-2+b3 [208 kB] Get:35 http://deb.debian.org/debian unstable/main loong64 python3-docutils all 0.23+dfsg-2 [433 kB] Get:36 http://deb.debian.org/debian unstable/main loong64 python3-greenlet loong64 3.3.2-5 [177 kB] Get:37 http://deb.debian.org/debian unstable/main loong64 python3-idna all 3.20-1 [45.8 kB] Get:38 http://deb.debian.org/debian unstable/main loong64 python3-imagesize all 2.0.1-1 [14.9 kB] Get:39 http://deb.debian.org/debian unstable/main loong64 python3-iniconfig all 2.1.0-2 [7540 B] Get:40 http://deb.debian.org/debian unstable/main loong64 python3-packaging all 26.2-3 [84.3 kB] Get:41 http://deb.debian.org/debian unstable/main loong64 python3-pluggy all 1.6.0-2 [27.2 kB] Get:42 http://deb.debian.org/debian unstable/main loong64 python3-typing-extensions all 4.16.0-5 [95.2 kB] Get:43 http://deb.debian.org/debian unstable/main loong64 python3-urllib3 all 2.8.0-2 [125 kB] Get:44 http://deb.debian.org/debian unstable/main loong64 python3 loong64 3.14.8-1 [26.3 kB] Get:45 http://deb.debian.org/debian unstable/main loong64 python3-all loong64 3.14.8-1 [996 B] Get:46 http://deb.debian.org/debian unstable/main loong64 python3-all-dev loong64 3.14.8-1 [1028 B] Get:47 http://deb.debian.org/debian unstable/main loong64 python3-dev loong64 3.14.8-1 [26.7 kB] Get:48 http://deb.debian.org/debian unstable/main loong64 python3-minimal loong64 3.14.8-1 [25.8 kB] Get:49 http://deb.debian.org/debian unstable/main loong64 python3.14 loong64 3.14.10-1 [884 kB] Get:50 http://deb.debian.org/debian unstable/main loong64 python3.14-dev loong64 3.14.10-1 [510 kB] Get:51 http://deb.debian.org/debian unstable/main loong64 python3.14-minimal loong64 3.14.10-1 [2381 kB] Get:52 http://deb.debian.org/debian unstable/main loong64 python3.15 loong64 3.15.2-1 [945 kB] Get:53 http://deb.debian.org/debian unstable/main loong64 python3.15-dev loong64 3.15.2-1 [512 kB] Get:54 http://deb.debian.org/debian unstable/main loong64 python3.15-minimal loong64 3.15.2-1 [2501 kB] Get:55 http://deb.debian.org/debian unstable/main loong64 python3-yaml loong64 6.0.3-1+b3 [149 kB] Get:56 http://deb.debian.org/debian unstable/main loong64 rapidjson-dev all 1.1.0+dfsg2-7.6 [98.2 kB] Get:57 http://deb.debian.org/debian unstable/main loong64 readline-common all 8.3-4 [74.8 kB] Get:58 http://deb.debian.org/debian unstable/main loong64 python3-recommonmark all 0.7.1+ds-9 [16.5 kB] Get:59 http://deb.debian.org/debian unstable/main loong64 python3-requests all 2.34.2-1 [77.6 kB] Get:60 http://deb.debian.org/debian unstable/main loong64 python3-roman-numerals all 4.1.0-1 [9196 B] Get:61 http://deb.debian.org/debian unstable/main loong64 sed loong64 4.9-3 [330 kB] Get:62 http://deb.debian.org/debian unstable/main loong64 sensible-utils all 0.0.26 [27.0 kB] Get:63 http://deb.debian.org/debian unstable/main loong64 sgml-base all 1.31+nmu1 [10.9 kB] Get:64 http://deb.debian.org/debian unstable/main loong64 passwd loong64 1:4.20.3-1 [1276 kB] Get:65 http://deb.debian.org/debian unstable/main loong64 shared-mime-info loong64 2.4-5+b2 [755 kB] Get:66 http://deb.debian.org/debian unstable/main loong64 python3-snowballstemmer all 3.1.1-1 [61.9 kB] Get:67 http://deb.debian.org/debian unstable/main loong64 python3-sphinx all 9.2.0-1 [506 kB] Get:68 http://deb.debian.org/debian unstable/main loong64 sphinx-common all 9.2.0-1 [701 kB] Get:69 http://deb.debian.org/debian unstable/main loong64 python3-sqlalchemy all 2.0.52+ds1-1 [1240 kB] Get:70 http://deb.debian.org/debian unstable/main loong64 ssl-cert all 1.2.0 [17.0 kB] Get:71 http://deb.debian.org/debian unstable/main loong64 systemd loong64 262.1-1 [3241 kB] Get:72 http://deb.debian.org/debian unstable/main loong64 sysvinit-utils loong64 3.18-1 [29.9 kB] Get:73 http://deb.debian.org/debian unstable/main loong64 t1utils loong64 1.41-4+b1 [60.4 kB] Get:74 http://deb.debian.org/debian unstable/main loong64 tex-common all 6.21 [29.2 kB] Get:75 http://deb.debian.org/debian unstable/main loong64 tex-gyre all 20180621-8 [6208 kB] Get:76 http://deb.debian.org/debian unstable/main loong64 texlive-base all 2026.20260911-1 [24.6 MB] Get:77 http://deb.debian.org/debian unstable/main loong64 texlive-fonts-recommended all 2026.20260911-1 [4992 kB] Get:78 http://deb.debian.org/debian unstable/main loong64 texlive-latex-base all 2026.20260911-1 [1455 kB] Get:79 http://deb.debian.org/debian unstable/main loong64 texlive-latex-recommended all 2026.20260911-1 [8458 kB] Get:80 http://deb.debian.org/debian unstable/main loong64 texlive-pictures all 2026.20260911-1 [23.9 MB] Get:81 http://deb.debian.org/debian unstable/main loong64 texlive-binaries loong64 2026.20260303.78225+ds-5 [8250 kB] Get:82 http://deb.debian.org/debian unstable/main loong64 texlive-latex-extra all 2026.20260911-1 [33.0 MB] Get:83 http://deb.debian.org/debian unstable/main loong64 python3-uc-micro all 2.0.0-1 [6028 B] Get:84 http://deb.debian.org/debian unstable/main loong64 ucf all 3.0056 [47.1 kB] Get:85 http://deb.debian.org/debian unstable/main loong64 util-linux loong64 2.42.4-1 [1210 kB] Get:86 http://deb.debian.org/debian unstable/main loong64 uuid-dev loong64 2.42.4-1 [55.8 kB] Get:87 http://deb.debian.org/debian unstable/main loong64 xdg-utils all 1.2.1-2 [75.8 kB] Get:88 http://deb.debian.org/debian unstable/main loong64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Get:89 http://deb.debian.org/debian unstable/main loong64 xfonts-utils loong64 1:7.7+7+b1 [92.5 kB] Get:90 http://deb.debian.org/debian unstable/main loong64 xml-core all 0.21 [19.0 kB] Get:91 http://deb.debian.org/debian unstable/main loong64 x11-common all 1:7.7+26 [217 kB] Get:92 http://deb.debian.org/debian unstable/main loong64 xorg-sgml-doctools all 1:1.12.1-1 [23.9 kB] Get:93 http://deb.debian.org/debian unstable/main loong64 x11proto-dev all 2025.1-1 [605 kB] Get:94 http://deb.debian.org/debian unstable/main loong64 xtrans-dev all 1.6.0-1 [93.5 kB] Get:95 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 python3-pandas-lib loong64 2.3.3+dfsg-5 [3499 kB] Get:96 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 python3-certifi all 2026.10.19+ds-1 [9948 B] Get:97 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 python3-dateutil all 3.0.0-2 [92.8 kB] Get:98 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 python3-pytz all 2026.5-1 [34.5 kB] Get:99 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 tar loong64 1.35+dfsg-6 [818 kB] Get:100 http://snapshot.debian.org/archive/debian/20261026T022331Z unstable/main loong64 tzdata all 2026e-1 [262 kB] Fetched 163 MB in 2s (108 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-yaml_6.0.3-1+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-mdit-py-plugins_0.6.1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/shared-mime-info_2.4-5+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pytest_9.1.1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-markupsafe_3.0.3-2+b2_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.14-dev_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.14-minimal_3.14.10-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/preview-latex-style_13.2-1.1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-sqlalchemy_2.0.52+ds1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-jinja2_3.1.6-4_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/tar_1.35+dfsg-6_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/sed_4.9-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-imagesize_2.0.1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-binaries_2026.20260303.78225+ds-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/ssl-cert_1.2.0_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-latex-base_2026.20260911-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.14_3.14.10-1_loong64.deb' dpkg-name: info: moved 'python3-numpy_1%3a2.4.6+ds-5+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-numpy_2.4.6+ds-5+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/sysvinit-utils_3.18-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pandas-lib_2.3.3+dfsg-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pil_13.0.0-1+b1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/rapidjson-dev_1.1.0+dfsg2-7.6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/postgresql-common-dev_293_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/perl-base_5.42.3-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-snowballstemmer_3.1.1-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/perl_5.42.3-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pandas_2.3.3+dfsg-6_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/xtrans-dev_1.6.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/ucf_3.0056_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/postgresql-common_293_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.15-dev_3.15.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pytz_2026.5-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/tex-common_6.21_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-linkify-it_2.2.0-1_all.deb' 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'/srv/rebuilderd/tmp/tmpqwkrywu9/python3-typing-extensions_4.16.0-5_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-fonts-recommended_2026.20260911-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-packaging_26.2-3_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.15-minimal_3.15.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/tex-gyre_20180621-8_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-sphinx_9.2.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/readline-common_8.3-4_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/xml-core_0.21_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/util-linux_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/patch_2.8.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-recommonmark_0.7.1+ds-9_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-latex-extra_2026.20260911-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-all_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/pkgconf_2.5.1-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/perl-modules-5.42_5.42.3-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3.15_3.15.2-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python-babel-localedata_2.18.0+git2026-08-12-3_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/sensible-utils_0.0.26_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-greenlet_3.3.2-5_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-latex-recommended_2026.20260911-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/x11proto-dev_2025.1-1_all.deb' dpkg-name: info: moved 'xfonts-encodings_1%3a1.0.4-2.2_all.deb' to '/srv/rebuilderd/tmp/tmpqwkrywu9/xfonts-encodings_1.0.4-2.2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-pygments_2.20.0+dfsg-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-urllib3_2.8.0-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/tzdata_2026e-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-uc-micro_2.0.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/postgresql-client-18_18.6-3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-markdown-it_4.2.0-4_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/postgresql-server-dev-all_293_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-requests_2.34.2-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/uuid-dev_2.42.4-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/sphinx-common_9.2.0-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-iniconfig_2.1.0-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/xdg-utils_1.2.1-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-alabaster_1.0.0-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-idna_3.20-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-myst-parser_5.1.0-2_all.deb' dpkg-name: info: moved 'x11-common_1%3a7.7+26_all.deb' to '/srv/rebuilderd/tmp/tmpqwkrywu9/x11-common_7.7+26_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-charset-normalizer_3.4.7-2+b3_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/po-debconf_1.0.22_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/pkgconf-bin_2.5.1-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-mdurl_0.1.2-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-minimal_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-certifi_2026.10.19+ds-1_all.deb' dpkg-name: info: moved 'xfonts-utils_1%3a7.7+7+b1_loong64.deb' to '/srv/rebuilderd/tmp/tmpqwkrywu9/xfonts-utils_7.7+7+b1_loong64.deb' dpkg-name: info: moved 'passwd_1%3a4.20.3-1_loong64.deb' to '/srv/rebuilderd/tmp/tmpqwkrywu9/passwd_4.20.3-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/texlive-base_2026.20260911-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/postgresql-client-common_293_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/sgml-base_1.31+nmu1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-commonmark_0.9.2-1_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-docutils_0.23+dfsg-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-chardet_5.2.0+dfsg-2_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-all-dev_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-babel_2.18.0+git2026-08-12-3_all.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/systemd_262.1-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-dev_3.14.8-1_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwkrywu9/python3-dateutil_3.0.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main loong64 xz-utils loong64 5.8.4-1 [760 kB] Get:2 http://deb.debian.org/debian unstable/main loong64 zlib1g loong64 1:1.3.dfsg+really1.3.2-4 [88.2 kB] Get:3 http://deb.debian.org/debian unstable/main loong64 zlib1g-dev loong64 1:1.3.dfsg+really1.3.2-4 [973 kB] Fetched 1821 kB in 0s (33.5 MB/s) dpkg-name: info: moved 'zlib1g-dev_1%3a1.3.dfsg+really1.3.2-4_loong64.deb' to '/srv/rebuilderd/tmp/tmpfiua5hxg/zlib1g-dev_1.3.dfsg+really1.3.2-4_loong64.deb' dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfiua5hxg/xz-utils_5.8.4-1_loong64.deb' dpkg-name: info: moved 'zlib1g_1%3a1.3.dfsg+really1.3.2-4_loong64.deb' to '/srv/rebuilderd/tmp/tmpfiua5hxg/zlib1g_1.3.dfsg+really1.3.2-4_loong64.deb' dpkg-buildpackage: info: source package debootsnap-dummy dpkg-buildpackage: info: source version 1.0 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Equivs Dummy Package Generator dpkg-buildpackage: info: host architecture loong64 dpkg-source --before-build . debian/rules clean dh clean dh_clean debian/rules binary dh binary dh_update_autotools_config dh_autoreconf create-stamp debian/debhelper-build-stamp dh_prep dh_auto_install --destdir=debian/debootsnap-dummy/ dh_install dh_installdocs dh_installchangelogs dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'debootsnap-dummy' in '../debootsnap-dummy_1.0_all.deb'. dpkg-genbuildinfo --build=binary -O../debootsnap-dummy_1.0_loong64.buildinfo dpkg-genchanges --build=binary -O../debootsnap-dummy_1.0_loong64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) The package has been created. Attention, the package has been created in the /srv/rebuilderd/tmp/tmpldruaqab/cache directory, not in ".." as indicated by the message above! I: automatically chosen mode: unshare I: chroot architecture loong64 is equal to the host's architecture I: using /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn as tempdir I: running --setup-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/setup00.sh /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn 127.0.0.1 - - [02/Nov/2026 08:07:38] code 404, message File not found 127.0.0.1 - - [02/Nov/2026 08:07:38] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:41347 ./ InRelease 127.0.0.1 - - [02/Nov/2026 08:07:38] "GET /./Release HTTP/1.1" 200 - Get:2 http://localhost:41347 ./ Release [462 B] 127.0.0.1 - - [02/Nov/2026 08:07:38] code 404, message File not found 127.0.0.1 - - [02/Nov/2026 08:07:38] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:41347 ./ Release.gpg 127.0.0.1 - - [02/Nov/2026 08:07:38] "GET /./Packages HTTP/1.1" 200 - Get:4 http://localhost:41347 ./ Packages [781 kB] Fetched 782 kB in 0s (21.1 MB/s) Reading package lists... usr-is-merged found but not real -- not running merged-usr setup hook I: skipping apt-get update because it was already run I: downloading packages with apt... 127.0.0.1 - 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127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libblkid1_2.42.4-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libmount1_2.42.4-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libsmartcols1_2.42.4-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libudev1_262.1-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libuuid1_2.42.4-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./util-linux_2.42.4-1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libdebconfclient0_0.283_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./base-passwd_3.6.8%2bb1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./init-system-helpers_1.69%2bnmu3_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./libc-bin_2.43-7_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./ncurses-base_6.6%2b20260608-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:39] "GET /./sysvinit-utils_3.18-1_loong64.deb HTTP/1.1" 200 - I: extracting archives... I: running --extract-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/extract00.sh /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn 127.0.0.1 - - [02/Nov/2026 08:07:41] code 404, message File not found 127.0.0.1 - - [02/Nov/2026 08:07:41] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:41347 ./ InRelease 127.0.0.1 - - [02/Nov/2026 08:07:41] "GET /./Release HTTP/1.1" 304 - Hit:2 http://localhost:41347 ./ Release 127.0.0.1 - - [02/Nov/2026 08:07:41] code 404, message File not found 127.0.0.1 - - [02/Nov/2026 08:07:41] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:41347 ./ Release.gpg Reading package lists... usr-is-merged found but not real -- not running merged-usr extract hook I: installing essential packages... 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127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./libboost-regex-dev_1.92.0.1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./libsqlite3-dev_3.53.4-2_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./python3-greenlet_3.3.2-5_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./python3-sqlalchemy_2.0.52%2bds1-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./libboost-program-options-dev_1.92.0.1_loong64.deb HTTP/1.1" 200 - 127.0.0.1 - - [02/Nov/2026 08:07:56] "GET /./debootsnap-dummy_1.0_all.deb HTTP/1.1" 200 - I: running --customize-hook directly: /srv/rebuilderd/tmp/tmpldruaqab/apt_install.sh /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn Reading package lists... Building dependency tree... Reading state information... gzip is already the newest version (1.14-1). libboost-exception1.92-dev is already the newest version (1.92.0-4+b1). libboost-exception1.92-dev set to manually installed. libaom3 is already the newest version (3.14.1-1). libaom3 set to manually installed. init-system-helpers is already the newest version (1.69+nmu3). libboost-container1.92-dev is already the newest version (1.92.0-4+b1). libboost-container1.92-dev set to manually installed. libatomic1 is already the newest version (16.2.0-4). libatomic1 set to manually installed. libarchive-zip-perl is already the newest version (1.68-1). libarchive-zip-perl set to manually installed. gettext-base is already the newest version (1.0-5). gettext-base set to manually installed. libaudit-common is already the newest version (1:4.1.2-1). libboost-atomic1.92-dev is already the newest version (1.92.0-4+b1). libboost-atomic1.92-dev set to manually installed. dpkg is already the newest version (1.23.11). dash is already the newest version (0.5.12-12+b1). g++-16-loongarch64-linux-gnu is already the newest version (16.2.0-4). g++-16-loongarch64-linux-gnu set to manually installed. glycin-thumbnailers is already the newest version (2.2.3+ds-1). glycin-thumbnailers set to manually installed. gcc-16-loongarch64-linux-gnu is already the newest version (16.2.0-4). gcc-16-loongarch64-linux-gnu set to manually installed. gettext is already the newest version (1.0-5). gettext set to manually installed. doxygen is already the newest version (1.17.0+ds-1.1). doxygen set to manually installed. libattr1 is already the newest version (1:2.6.0-1). g++ is already the newest version (4:16.1.0-3). g++ set to manually installed. libbinutils is already the newest version (2.47.50.20261021-1). libbinutils set to manually installed. imagemagick-7.q16 is already the newest version (8:7.1.2.34+dfsg1-1). imagemagick-7.q16 set to manually installed. autopoint is already the newest version (1.0-5). autopoint set to manually installed. cpp-loongarch64-linux-gnu is already the newest version (4:16.1.0-3). cpp-loongarch64-linux-gnu set to manually installed. architecture-properties is already the newest version (0.2.6+b2). architecture-properties set to manually installed. libboost-graph1.92-dev is already the newest version (1.92.0-4+b1). libboost-graph1.92-dev set to manually installed. bsdextrautils is already the newest version (2.42.4-1). bsdextrautils set to manually installed. gcc-16-base is already the newest version (16.2.0-4). automake is already the newest version (1:1.19-3). automake set to manually installed. ca-certificates is already the newest version (20260816+nmu1). ca-certificates set to manually installed. file is already the newest version (1:5.47-4). file set to manually installed. libboost-dev is already the newest version (1.92.0.1). libboost-dev set to manually installed. libaudit1 is already the newest version (1:4.1.2-1+b2). fontconfig is already the newest version (2.17.1-5). fontconfig set to manually installed. libblkid1 is already the newest version (2.42.4-1). dh-autoreconf is already the newest version (23). dh-autoreconf set to manually installed. cpp-16-loongarch64-linux-gnu is already the newest version (16.2.0-4). cpp-16-loongarch64-linux-gnu set to manually installed. flex is already the newest version (2.6.4-8.2+b5). flex set to manually installed. dh-python is already the newest version (7.20261025). dh-python set to manually installed. imagemagick is already the newest version (8:7.1.2.34+dfsg1-1). imagemagick set to manually installed. base-passwd is already the newest version (3.6.8+b1). catch2 is already the newest version (3.7.1-0.6). catch2 set to manually installed. bzip2 is already the newest version (1.0.8-6+b2). bzip2 set to manually installed. bash is already the newest version (5.3-4). groff-base is already the newest version (1.24.2-2). groff-base set to manually installed. cmake is already the newest version (4.3.4-1). cmake set to manually installed. libboost-date-time1.92.0 is already the newest version (1.92.0-4+b1). libboost-date-time1.92.0 set to manually installed. cpp-16 is already the newest version (16.2.0-4). cpp-16 set to manually installed. docutils-common is already the newest version (0.23+dfsg-2). docutils-common set to manually installed. binutils-loongarch64-linux-gnu is already the newest version (2.47.50.20261021-1). binutils-loongarch64-linux-gnu set to manually installed. dpkg-dev is already the newest version (1.23.11). dpkg-dev set to manually installed. hicolor-icon-theme is already the newest version (0.18-2). hicolor-icon-theme set to manually installed. debconf is already the newest version (1.5.92). libboost-graph1.92.0 is already the newest version (1.92.0-4+b1). libboost-graph1.92.0 set to manually installed. glycin-loaders is already the newest version (2.2.3+ds-1). glycin-loaders set to manually installed. libblkid-dev is already the newest version (2.42.4-1). libblkid-dev set to manually installed. bubblewrap is already the newest version (0.13.1-1). bubblewrap set to manually installed. base-files is already the newest version (14.2). libboost-chrono1.92-dev is already the newest version (1.92.0-4+b1). libboost-chrono1.92-dev set to manually installed. libacl1 is already the newest version (2.4.0-1). g++-16 is already the newest version (16.2.0-4). g++-16 set to manually installed. debianutils is already the newest version (5.24). girepository-tools is already the newest version (2.90.1-2). girepository-tools set to manually installed. g++-loongarch64-linux-gnu is already the newest version (4:16.1.0-3). g++-loongarch64-linux-gnu set to manually installed. cpp is already the newest version (4:16.1.0-3). cpp set to manually installed. libboost-atomic1.92.0 is already the newest version (1.92.0-4+b1). libboost-atomic1.92.0 set to manually installed. libasan8 is already the newest version (16.2.0-4). libasan8 set to manually installed. 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newest version (0.46.4-1+b2). libpixman-1-0 set to manually installed. libpython3-dev is already the newest version (3.14.8-1). libpython3-dev set to manually installed. libpcre2-8-0 is already the newest version (10.48-3.1). libmagic-mgc is already the newest version (1:5.47-4). libmagic-mgc set to manually installed. libpkgconf7 is already the newest version (2.5.1-4). libpkgconf7 set to manually installed. libpipeline1 is already the newest version (1.5.8-3). libpipeline1 set to manually installed. liblzma5 is already the newest version (5.8.4-1). libpython3.14-minimal is already the newest version (3.14.10-1). libpython3.14-minimal set to manually installed. libpython3.14 is already the newest version (3.14.10-1). libpython3.14 set to manually installed. libpython3.15-dev is already the newest version (3.15.2-1). libpython3.15-dev set to manually installed. libmount-dev is already the newest version (2.42.4-1). libmount-dev set to manually installed. libheif1 is already the newest version (1.23.6-2). libheif1 set to manually installed. libncursesw6 is already the newest version (6.6+20260608-2). libncursesw6 set to manually installed. libhwloc15 is already the newest version (2.15.0-2). libhwloc15 set to manually installed. libkpathsea6 is already the newest version (2026.20260303.78225+ds-5). libkpathsea6 set to manually installed. libpam-runtime is already the newest version (1.7.0-8). libnghttp3-9 is already the newest version (1.17.0-1). libnghttp3-9 set to manually installed. libmaeparser-dev is already the newest version (1.3.3-4+b2). libmaeparser-dev set to manually installed. libzstd-dev is already the newest version (1.5.7+dfsg-4). libzstd-dev set to manually installed. libuuid1 is already the newest version (2.42.4-1). libxcb-render0 is already the newest version (1.17.0-2+b2). libxcb-render0 set to manually installed. libxxhash0 is already the newest version (0.8.3-2+b2). libxxhash0 set to manually installed. libspdlog1.15 is already the newest version (1:1.15.3+ds-1+b3). libspdlog1.15 set to manually installed. libselinux1 is already the newest version (3.11-2.1+b1). libstdc++-16-dev is already the newest version (16.2.0-4). libstdc++-16-dev set to manually installed. libsemanage-common is already the newest version (3.11-1). libsemanage-common set to manually installed. make is already the newest version (4.4.1-3+b1). make set to manually installed. libx11-6 is already the newest version (2:1.8.14-1). libx11-6 set to manually installed. libxdmcp6 is already the newest version (1:1.1.5-2+b1). libxdmcp6 set to manually installed. libteckit0 is already the newest version (2.5.13+ds-2). libteckit0 set to manually installed. libxext6 is already the newest version (2:1.3.4-1+b4). libxext6 set to manually installed. libtext-charwidth-perl is already the newest version (0.04-12+b1). libtext-charwidth-perl set to manually installed. libsepol-dev is already the newest version (3.11-1). libsepol-dev set to manually installed. libsasl2-2 is already the newest version (2.1.28+dfsg1-12). libsasl2-2 set to manually installed. libuv1t64 is already the newest version (1.53.0-1). libuv1t64 set to manually installed. libsm-dev is already the newest version (2:1.2.6-1+b2). libsm-dev set to manually installed. pandoc is already the newest version (3.11-1). pandoc set to manually installed. libtext-wrapi18n-perl is already the newest version (0.06-11). libtext-wrapi18n-perl set to manually installed. libselinux-dev is already the newest version (3.11-2.1+b1). libselinux-dev set to manually installed. media-types is already the newest version (14.0.0). media-types set to manually installed. libsystemd-shared is already the newest version (262.1-1). libsystemd-shared set to manually installed. libtinfo6 is already the newest version (6.6+20260608-2). libreadline8t64 is already the newest version (8.3-4). libreadline8t64 set to manually installed. libxext-dev is already the newest version (2:1.3.4-1+b4). libxext-dev set to manually installed. libtexlua53-5 is already the newest version (2026.20260303.78225+ds-5). libtexlua53-5 set to manually installed. libxrender1 is already the newest version (1:0.9.13-1). libxrender1 set to manually installed. libssl3t64 is already the newest version (3.6.5-1). libtbbbind-2-5 is already the newest version (2023.1.0-3). libtbbbind-2-5 set to manually installed. libsharpyuv0 is already the newest version (1.6.0-0.1). libsharpyuv0 set to manually installed. libyaml-0-2 is already the newest version (0.2.5-2+b1). libyaml-0-2 set to manually installed. openssl-provider-legacy is already the newest version (3.6.5-1). libxrender-dev is already the newest version (1:0.9.13-1). libxrender-dev set to manually installed. native-architecture is already the newest version (0.2.6). native-architecture set to manually installed. libsystemd0 is already the newest version (262.1-1). libtbb12 is already the newest version (2023.1.0-3). libtbb12 set to manually installed. libxmu6 is already the newest version (2:1.1.3-4+b1). libxmu6 set to manually installed. libx11-data is already the newest version (2:1.8.14-1). libx11-data set to manually installed. libxpm4 is already the newest version (1:3.5.20-1). libxpm4 set to manually installed. libzstd1 is already the newest version (1.5.7+dfsg-4). librhash1 is already the newest version (1.4.6-1.1+b1). librhash1 set to manually installed. libsqlite3-dev is already the newest version (3.53.4-2). libsqlite3-dev set to manually installed. libsqlite3-0 is already the newest version (3.53.4-2). libsqlite3-0 set to manually installed. netbase is already the newest version (6.6). netbase set to manually installed. libssl-dev is already the newest version (3.6.5-1). libssl-dev set to manually installed. libxi6 is already the newest version (2:1.8.4-1). libxi6 set to manually installed. linux-libc-dev is already the newest version (7.2.12-1). linux-libc-dev set to manually installed. libxcb1 is already the newest version (1.17.0-2+b2). libxcb1 set to manually installed. libsframe3 is already the newest version (2.47.50.20261021-1). libsframe3 set to manually installed. libxau6 is already the newest version (1:1.0.11-1+b2). libxau6 set to manually installed. libtiff6 is already the newest version (4.7.2-1). libtiff6 set to manually installed. libwebp7 is already the newest version (1.6.0-0.1). libwebp7 set to manually installed. libxcb-shm0 is already the newest version (1.17.0-2+b2). libxcb-shm0 set to manually installed. libxdmcp-dev is already the newest version (1:1.1.5-2+b1). libxdmcp-dev set to manually installed. libstdc++6 is already the newest version (16.2.0-4). libstdc++6 set to manually installed. man-db is already the newest version (2.13.1-1+b1). man-db set to manually installed. libtbb-dev is already the newest version (2023.1.0-3). libtbb-dev set to manually installed. ncurses-base is already the newest version (6.6+20260608-2). libxau-dev is already the newest version (1:1.0.11-1+b2). libxau-dev set to manually installed. libsm6 is already the newest version (2:1.2.6-1+b2). libsm6 set to manually installed. m4 is already the newest version (1.4.21-1). m4 set to manually installed. libxcb-shm0-dev is already the newest version (1.17.0-2+b2). libxcb-shm0-dev set to manually installed. libx11-dev is already the newest version (2:1.8.14-1). libx11-dev set to manually installed. librsvg2-bin is already the newest version (2.63.3+dfsg-1). librsvg2-bin set to manually installed. librsvg2-2 is already the newest version (2.63.3+dfsg-1). librsvg2-2 set to manually installed. libtsan2 is already the newest version (16.2.0-4). libtsan2 set to manually installed. libudev1 is already the newest version (262.1-1). mawk is already the newest version (1.3.4.20260302-2). libxcb-render0-dev is already the newest version (1.17.0-2+b2). libxcb-render0-dev set to manually installed. libxt6t64 is already the newest version (1:1.2.1-1.3+b2). libxt6t64 set to manually installed. libsepol2 is already the newest version (3.11-1). libsepol2 set to manually installed. libsysprof-capture-4-dev is already the newest version (51.0-2). libsysprof-capture-4-dev set to manually installed. libxml2-16 is already the newest version (2.15.4+dfsg-1+b1). libxml2-16 set to manually installed. libwebpmux3 is already the newest version (1.6.0-0.1). libwebpmux3 set to manually installed. libsynctex2 is already the newest version (2026.20260303.78225+ds-5). libsynctex2 set to manually installed. libuchardet0 is already the newest version (0.0.8-2+b2). libuchardet0 set to manually installed. libxaw7 is already the newest version (2:1.0.16-1+b2). libxaw7 set to manually installed. libtbbmalloc2 is already the newest version (2023.1.0-3). libtbbmalloc2 set to manually installed. libxcb1-dev is already the newest version (1.17.0-2+b2). libxcb1-dev set to manually installed. login.defs is already the newest version (1:4.20.3-1). login.defs set to manually installed. libthai0 is already the newest version (0.1.30-3). libthai0 set to manually installed. libtool is already the newest version (2.6.2-3). libtool set to manually installed. openssl is already the newest version (3.6.5-1). openssl set to manually installed. libthai-data is already the newest version (0.1.30-3). libthai-data set to manually installed. libunistring5 is already the newest version (1.4.2-1). libunistring5 set to manually installed. libringdecomposerlib-dev is already the newest version (1.1.3-2). libringdecomposerlib-dev set to manually installed. libsvtav1enc4 is already the newest version (4.2.0+dfsg-3). libsvtav1enc4 set to manually installed. pandoc-data is already the newest version (3.11-1). pandoc-data set to manually installed. libxapian30 is already the newest version (1.4.32-1). libxapian30 set to manually installed. libwebpdemux2 is already the newest version (1.6.0-0.1). libwebpdemux2 set to manually installed. ncurses-bin is already the newest version (6.6+20260608-2). libyuv0 is already the newest version (0.0.1974.20261008-1). libyuv0 set to manually installed. libsasl2-modules-db is already the newest version (2.1.28+dfsg1-12). libsasl2-modules-db set to manually installed. libssh2-1t64 is already the newest version (1.11.1-6). libssh2-1t64 set to manually installed. libsemanage2 is already the newest version (3.11-1+b2). libsemanage2 set to manually installed. libubsan1 is already the newest version (16.2.0-4). libubsan1 set to manually installed. libzzip-0-13t64 is already the newest version (0.13.78+dfsg.1-0.2+b1). libzzip-0-13t64 set to manually installed. libseccomp2 is already the newest version (2.6.1-1+b2). libseccomp2 set to manually installed. libsmartcols1 is already the newest version (2.42.4-1). python3-yaml is already the newest version (6.0.3-1+b3). python3-yaml set to manually installed. python3-mdit-py-plugins is already the newest version (0.6.1-1). python3-mdit-py-plugins set to manually installed. shared-mime-info is already the newest version (2.4-5+b2). shared-mime-info set to manually installed. python3-pytest is already the newest version (9.1.1-1). python3-pytest set to manually installed. python3-markupsafe is already the newest version (3.0.3-2+b2). python3-markupsafe set to manually installed. python3.14-dev is already the newest version (3.14.10-1). python3.14-dev set to manually installed. python3.14-minimal is already the newest version (3.14.10-1). python3.14-minimal set to manually installed. preview-latex-style is already the newest version (13.2-1.1). preview-latex-style set to manually installed. python3-sqlalchemy is already the newest version (2.0.52+ds1-1). python3-sqlalchemy set to manually installed. python3-jinja2 is already the newest version (3.1.6-4). python3-jinja2 set to manually installed. tar is already the newest version (1.35+dfsg-6). sed is already the newest version (4.9-3). python3-imagesize is already the newest version (2.0.1-1). python3-imagesize set to manually installed. texlive-binaries is already the newest version (2026.20260303.78225+ds-5). texlive-binaries set to manually installed. ssl-cert is already the newest version (1.2.0). ssl-cert set to manually installed. texlive-latex-base is already the newest version (2026.20260911-1). texlive-latex-base set to manually installed. python3.14 is already the newest version (3.14.10-1). python3.14 set to manually installed. sysvinit-utils is already the newest version (3.18-1). python3-pandas-lib is already the newest version (2.3.3+dfsg-5). python3-pandas-lib set to manually installed. python3 is already the newest version (3.14.8-1). python3 set to manually installed. python3-pil is already the newest version (13.0.0-1+b1). python3-pil set to manually installed. rapidjson-dev is already the newest version (1.1.0+dfsg2-7.6). rapidjson-dev set to manually installed. postgresql-common-dev is already the newest version (293). postgresql-common-dev set to manually installed. perl-base is already the newest version (5.42.3-1). python3-snowballstemmer is already the newest version (3.1.1-1). python3-snowballstemmer set to manually installed. perl is already the newest version (5.42.3-1). perl set to manually installed. python3-pandas is already the newest version (2.3.3+dfsg-6). python3-pandas set to manually installed. xtrans-dev is already the newest version (1.6.0-1). xtrans-dev set to manually installed. ucf is already the newest version (3.0056). ucf set to manually installed. postgresql-common is already the newest version (293). postgresql-common set to manually installed. xfonts-utils is already the newest version (1:7.7+7+b1). xfonts-utils set to manually installed. python3.15-dev is already the newest version (3.15.2-1). python3.15-dev set to manually installed. python3-pytz is already the newest version (2026.5-1). python3-pytz set to manually installed. tex-common is already the newest version (6.21). tex-common set to manually installed. python3-linkify-it is already the newest version (2.2.0-1). python3-linkify-it set to manually installed. texlive-pictures is already the newest version (2026.20260911-1). texlive-pictures set to manually installed. t1utils is already the newest version (1.41-4+b1). t1utils set to manually installed. python3-roman-numerals is already the newest version (4.1.0-1). python3-roman-numerals set to manually installed. postgresql-server-dev-18 is already the newest version (18.6-3). postgresql-server-dev-18 set to manually installed. python3-pluggy is already the newest version (1.6.0-2). python3-pluggy set to manually installed. procps is already the newest version (2:4.0.7-1). procps set to manually installed. python3-typing-extensions is already the newest version (4.16.0-5). python3-typing-extensions set to manually installed. texlive-fonts-recommended is already the newest version (2026.20260911-1). texlive-fonts-recommended set to manually installed. python3-packaging is already the newest version (26.2-3). python3-packaging set to manually installed. python3.15-minimal is already the newest version (3.15.2-1). python3.15-minimal set to manually installed. tex-gyre is already the newest version (20180621-8). tex-gyre set to manually installed. python3-sphinx is already the newest version (9.2.0-1). python3-sphinx set to manually installed. readline-common is already the newest version (8.3-4). readline-common set to manually installed. xml-core is already the newest version (0.21). xml-core set to manually installed. xorg-sgml-doctools is already the newest version (1:1.12.1-1). xorg-sgml-doctools set to manually installed. util-linux is already the newest version (2.42.4-1). patch is already the newest version (2.8.1-1). patch set to manually installed. x11-common is already the newest version (1:7.7+26). x11-common set to manually installed. python3-recommonmark is already the newest version (0.7.1+ds-9). python3-recommonmark set to manually installed. texlive-latex-extra is already the newest version (2026.20260911-1). texlive-latex-extra set to manually installed. python3-all is already the newest version (3.14.8-1). python3-all set to manually installed. pkgconf is already the newest version (2.5.1-4). pkgconf set to manually installed. perl-modules-5.42 is already the newest version (5.42.3-1). perl-modules-5.42 set to manually installed. python3.15 is already the newest version (3.15.2-1). python3.15 set to manually installed. passwd is already the newest version (1:4.20.3-1). passwd set to manually installed. python-babel-localedata is already the newest version (2.18.0+git2026-08-12-3). python-babel-localedata set to manually installed. sensible-utils is already the newest version (0.0.26). sensible-utils set to manually installed. python3-greenlet is already the newest version (3.3.2-5). python3-greenlet set to manually installed. texlive-latex-recommended is already the newest version (2026.20260911-1). texlive-latex-recommended set to manually installed. x11proto-dev is already the newest version (2025.1-1). x11proto-dev set to manually installed. python3-pygments is already the newest version (2.20.0+dfsg-2). python3-pygments set to manually installed. python3-urllib3 is already the newest version (2.8.0-2). python3-urllib3 set to manually installed. tzdata is already the newest version (2026e-1). tzdata set to manually installed. python3-uc-micro is already the newest version (2.0.0-1). python3-uc-micro set to manually installed. postgresql-client-18 is already the newest version (18.6-3). postgresql-client-18 set to manually installed. python3-markdown-it is already the newest version (4.2.0-4). python3-markdown-it set to manually installed. python3-numpy is already the newest version (1:2.4.6+ds-5+b1). python3-numpy set to manually installed. postgresql-server-dev-all is already the newest version (293). postgresql-server-dev-all set to manually installed. python3-requests is already the newest version (2.34.2-1). python3-requests set to manually installed. uuid-dev is already the newest version (2.42.4-1). uuid-dev set to manually installed. sphinx-common is already the newest version (9.2.0-1). sphinx-common set to manually installed. python3-iniconfig is already the newest version (2.1.0-2). python3-iniconfig set to manually installed. xdg-utils is already the newest version (1.2.1-2). xdg-utils set to manually installed. python3-alabaster is already the newest version (1.0.0-2). python3-alabaster set to manually installed. python3-idna is already the newest version (3.20-1). python3-idna set to manually installed. python3-myst-parser is already the newest version (5.1.0-2). python3-myst-parser set to manually installed. python3-charset-normalizer is already the newest version (3.4.7-2+b3). python3-charset-normalizer set to manually installed. po-debconf is already the newest version (1.0.22). po-debconf set to manually installed. pkgconf-bin is already the newest version (2.5.1-4). pkgconf-bin set to manually installed. xfonts-encodings is already the newest version (1:1.0.4-2.2). xfonts-encodings set to manually installed. python3-mdurl is already the newest version (0.1.2-2). python3-mdurl set to manually installed. python3-minimal is already the newest version (3.14.8-1). python3-minimal set to manually installed. python3-certifi is already the newest version (2026.10.19+ds-1). python3-certifi set to manually installed. texlive-base is already the newest version (2026.20260911-1). texlive-base set to manually installed. python3-numpy-dev is already the newest version (1:2.4.6+ds-5+b1). python3-numpy-dev set to manually installed. postgresql-client-common is already the newest version (293). postgresql-client-common set to manually installed. sgml-base is already the newest version (1.31+nmu1). sgml-base set to manually installed. python3-commonmark is already the newest version (0.9.2-1). python3-commonmark set to manually installed. python3-docutils is already the newest version (0.23+dfsg-2). python3-docutils set to manually installed. python3-chardet is already the newest version (5.2.0+dfsg-2). python3-chardet set to manually installed. python3-all-dev is already the newest version (3.14.8-1). python3-all-dev set to manually installed. python3-babel is already the newest version (2.18.0+git2026-08-12-3). python3-babel set to manually installed. systemd is already the newest version (262.1-1). systemd set to manually installed. python3-dev is already the newest version (3.14.8-1). python3-dev set to manually installed. python3-dateutil is already the newest version (3.0.0-2). python3-dateutil set to manually installed. zlib1g is already the newest version (1:1.3.dfsg+really1.3.2-4). zlib1g-dev is already the newest version (1:1.3.dfsg+really1.3.2-4). zlib1g-dev set to manually installed. xz-utils is already the newest version (5.8.4-1). xz-utils set to manually installed. Solving dependencies... 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: running --customize-hook in shell: sh -c 'chroot "$1" dpkg -r debootsnap-dummy' exec /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn (Reading database ... 80881 files and directories currently installed.) Removing debootsnap-dummy (1.0) ... I: running --customize-hook in shell: sh -c 'chroot "$1" dpkg-query --showformat '${binary:Package}=${Version}\n' --show > "$1/pkglist"' exec /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn I: running special hook: download /pkglist ./pkglist I: running --customize-hook in shell: sh -c 'rm "$1/pkglist"' exec /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn I: running special hook: upload sources.list /etc/apt/sources.list I: waiting for background processes to finish... I: cleaning package lists and apt cache... I: skipping cleanup/reproducible as requested I: creating tarball... I: done I: removing tempdir /srv/rebuilderd/tmp/mmdebstrap.sAR_GbuWjn... I: success in 287.7167 seconds Downloading packages 1 to 100 out of 503 Downloading packages 101 to 200 out of 503 Downloading packages 201 to 300 out of 503 Downloading packages 301 to 400 out of 503 Downloading packages 401 to 500 out of 503 Downloading packages 501 to 503 out of 503 env --chdir=/srv/rebuilderd/tmp/rebuilderdpoB6WJ/out DEB_BUILD_OPTIONS=parallel=8 LANG=C.UTF-8 LC_COLLATE=C.UTF-8 LC_CTYPE=C.UTF-8 SOURCE_DATE_EPOCH=1792558062 SBUILD_CONFIG=/srv/rebuilderd/tmp/debrebuild4HhyKk/debrebuild.sbuildrc.MEiqzibqpnsb sbuild --build=loong64 --host=loong64 --arch-any --no-arch-all --binNMU-changelog= rdkit (202609.1-1+b1) sid; urgency=low, binary-only=yes * Binary-only non-maintainer upload for loong64; no source changes. * Rebuild with Python 3.15 as supported version -- loong64 Build Daemon (loongson-conova-02) Wed, 21 Oct 2026 04:47:42 +0000 --chroot=/srv/rebuilderd/tmp/debrebuild4HhyKk/debrebuild.tar._EE9wRYe4o0s --chroot-mode=unshare --dist=unstable --no-run-lintian --no-run-piuparts --no-run-autopkgtest --no-apt-update --no-apt-upgrade --no-apt-distupgrade --no-source --verbose --nolog --bd-uninstallable-explainer= --build-path=/build/reproducible-path --dsc-dir=rdkit-202609.1 /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1.dsc I: consider moving your ~/.sbuildrc to /srv/rebuilderd/.config/sbuild/config.pl sbuild: warning: descr(l1): found blank line where expected first heading sbuild (Debian sbuild) 0.91.10 (27 June 2026) on loong64-02 +==============================================================================+ | rdkit 202609.1-1+b1 (loong64) Mon, 02 Nov 2026 13:12:27 +0000 | +==============================================================================+ Package: rdkit Version: 202609.1-1+b1 Source Version: 202609.1-1 Distribution: unstable Machine Architecture: loong64 Host Architecture: loong64 Build Architecture: loong64 Build Type: any I: No tarballs found in /srv/rebuilderd/.cache/sbuild I: Unpacking /srv/rebuilderd/tmp/debrebuild4HhyKk/debrebuild.tar._EE9wRYe4o0s to /srv/rebuilderd/tmp/tmp.sbuild.tz1zSVeWwn... I: Setting up the chroot... I: Creating chroot session... I: Setting up log color... I: Setting up apt archive... +------------------------------------------------------------------------------+ | Fetch source files Mon, 02 Nov 2026 13:12:44 +0000 | +------------------------------------------------------------------------------+ Local sources ------------- /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1.dsc exists in /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs; copying to chroot sbuild: warning: descr(l1): found blank line where expected first heading +------------------------------------------------------------------------------+ | Install package build dependencies Mon, 02 Nov 2026 13:12:46 +0000 | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: architecture-is-64-bit, architecture-is-little-endian, bison, catch2, cmake (>= 4.1.2-1), debhelper-compat (= 13), dh-python, doxygen, flex, imagemagick, latexmk, libboost-dev, libboost-iostreams-dev, libboost-numpy-dev, libboost-program-options-dev, libboost-python-dev, libboost-regex-dev, libboost-thread-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libfreetype-dev, libinchi-dev (>= 1.07.1+dfsg-2), libmaeparser-dev, libringdecomposerlib-dev, librsvg2-bin, libsqlite3-dev, libtbb-dev, pandoc, postgresql-server-dev-all, python3-all-dev, python3-myst-parser, python3-numpy-dev, python3-pandas, python3-pil | python3-imaging, python3-pytest, python3-recommonmark, python3-sphinx, python3-sqlalchemy, rapidjson-dev, tex-gyre, texlive-fonts-recommended, texlive-latex-base, texlive-latex-extra, texlive-latex-recommended, build-essential Filtered Build-Depends: architecture-is-64-bit, architecture-is-little-endian, bison, catch2, cmake (>= 4.1.2-1), debhelper-compat (= 13), dh-python, doxygen, flex, imagemagick, latexmk, libboost-dev, libboost-iostreams-dev, libboost-numpy-dev, libboost-program-options-dev, libboost-python-dev, libboost-regex-dev, libboost-thread-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libfreetype-dev, libinchi-dev (>= 1.07.1+dfsg-2), libmaeparser-dev, libringdecomposerlib-dev, librsvg2-bin, libsqlite3-dev, libtbb-dev, pandoc, postgresql-server-dev-all, python3-all-dev, python3-myst-parser, python3-numpy-dev, python3-pandas, python3-pil, python3-pytest, python3-recommonmark, python3-sphinx, python3-sqlalchemy, rapidjson-dev, tex-gyre, texlive-fonts-recommended, texlive-latex-base, texlive-latex-extra, texlive-latex-recommended, build-essential dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/build/reproducible-path/resolver-dDJb8X/apt_archive/sbuild-build-depends-main-dummy.deb'. Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies +------------------------------------------------------------------------------+ | Check architectures Mon, 02 Nov 2026 13:12:53 +0000 | +------------------------------------------------------------------------------+ Arch check ok (loong64 included in any all) +------------------------------------------------------------------------------+ | Build environment Mon, 02 Nov 2026 13:12:54 +0000 | +------------------------------------------------------------------------------+ Kernel: Linux 7.2.9+deb14-loong64 #1 SMP PREEMPT Debian 7.2.9-1 (2026-10-03) loong64 (loongarch64) Toolchain package versions: binutils_2.47.50.20261021-1 dpkg-dev_1.23.11 g++-16_16.2.0-4 gcc-16_16.2.0-4 libc6-dev_2.43-7 libstdc++-16-dev_16.2.0-4 libstdc++6_16.2.0-4 linux-libc-dev_7.2.12-1 Package versions: adduser_3.159 architecture-properties_0.2.6+b2 autoconf_2.73-2 automake_1:1.19-3 autopoint_1.0-5 autotools-dev_20240727.1+nmu1 base-files_14.2 base-passwd_3.6.8+b1 bash_5.3-4 binutils_2.47.50.20261021-1 binutils-common_2.47.50.20261021-1 binutils-loongarch64-linux-gnu_2.47.50.20261021-1 bison_2:3.8.2+dfsg-1+b3 bsdextrautils_2.42.4-1 bubblewrap_0.13.1-1 build-essential_12.12+b1 bzip2_1.0.8-6+b2 ca-certificates_20260816+nmu1 catch2_3.7.1-0.6 cmake_4.3.4-1 coreutils_9.10-1 cpp_4:16.1.0-3 cpp-16_16.2.0-4 cpp-16-loongarch64-linux-gnu_16.2.0-4 cpp-loongarch64-linux-gnu_4:16.1.0-3 dash_0.5.12-12+b1 debconf_1.5.92 debhelper_14.5 debianutils_5.24 dh-autoreconf_23 dh-python_7.20261025 dh-strip-nondeterminism_1.15.1-1 diffutils_1:3.12-1+b1 docutils-common_0.23+dfsg-2 doxygen_1.17.0+ds-1.1 dpkg_1.23.11 dpkg-dev_1.23.11 dwz_0.17-1 file_1:5.47-4 findutils_4.11.0-3 flex_2.6.4-8.2+b5 fontconfig_2.17.1-5 fontconfig-config_2.17.1-5 fonts-dejavu-core_2.37-9 fonts-dejavu-mono_2.37-9 fonts-lmodern_2.005-2 g++_4:16.1.0-3 g++-16_16.2.0-4 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libsmartcols1_2.42.4-1 libspdlog1.15_1:1.15.3+ds-1+b3 libsqlite3-0_3.53.4-2 libsqlite3-dev_3.53.4-2 libssh2-1t64_1.11.1-6 libssl-dev_3.6.5-1 libssl3t64_3.6.5-1 libstdc++-16-dev_16.2.0-4 libstdc++6_16.2.0-4 libsvtav1enc4_4.2.0+dfsg-3 libsynctex2_2026.20260303.78225+ds-5 libsysprof-capture-4-dev_51.0-2 libsystemd-shared_262.1-1 libsystemd0_262.1-1 libtbb-dev_2023.1.0-3 libtbb12_2023.1.0-3 libtbbbind-2-5_2023.1.0-3 libtbbmalloc2_2023.1.0-3 libteckit0_2.5.13+ds-2 libtexlua53-5_2026.20260303.78225+ds-5 libtext-charwidth-perl_0.04-12+b1 libtext-wrapi18n-perl_0.06-11 libthai-data_0.1.30-3 libthai0_0.1.30-3 libtiff6_4.7.2-1 libtinfo6_6.6+20260608-2 libtool_2.6.2-3 libtsan2_16.2.0-4 libubsan1_16.2.0-4 libuchardet0_0.0.8-2+b2 libudev1_262.1-1 libunistring5_1.4.2-1 libuuid1_2.42.4-1 libuv1t64_1.53.0-1 libwebp7_1.6.0-0.1 libwebpdemux2_1.6.0-0.1 libwebpmux3_1.6.0-0.1 libx11-6_2:1.8.14-1 libx11-data_2:1.8.14-1 libx11-dev_2:1.8.14-1 libxapian30_1.4.32-1 libxau-dev_1:1.0.11-1+b2 libxau6_1:1.0.11-1+b2 libxaw7_2:1.0.16-1+b2 libxcb-render0_1.17.0-2+b2 libxcb-render0-dev_1.17.0-2+b2 libxcb-shm0_1.17.0-2+b2 libxcb-shm0-dev_1.17.0-2+b2 libxcb1_1.17.0-2+b2 libxcb1-dev_1.17.0-2+b2 libxdmcp-dev_1:1.1.5-2+b1 libxdmcp6_1:1.1.5-2+b1 libxext-dev_2:1.3.4-1+b4 libxext6_2:1.3.4-1+b4 libxi6_2:1.8.4-1 libxml2-16_2.15.4+dfsg-1+b1 libxmu6_2:1.1.3-4+b1 libxpm4_1:3.5.20-1 libxrender-dev_1:0.9.13-1 libxrender1_1:0.9.13-1 libxt6t64_1:1.2.1-1.3+b2 libxxhash0_0.8.3-2+b2 libyaml-0-2_0.2.5-2+b1 libyuv0_0.0.1974.20261008-1 libzstd-dev_1.5.7+dfsg-4 libzstd1_1.5.7+dfsg-4 libzzip-0-13t64_0.13.78+dfsg.1-0.2+b1 linux-libc-dev_7.2.12-1 login.defs_1:4.20.3-1 m4_1.4.21-1 make_4.4.1-3+b1 man-db_2.13.1-1+b1 mawk_1.3.4.20260302-2 media-types_14.0.0 native-architecture_0.2.6 ncurses-base_6.6+20260608-2 ncurses-bin_6.6+20260608-2 netbase_6.6 openssl_3.6.5-1 openssl-provider-legacy_3.6.5-1 pandoc_3.11-1 pandoc-data_3.11-1 passwd_1:4.20.3-1 patch_2.8.1-1 perl_5.42.3-1 perl-base_5.42.3-1 perl-modules-5.42_5.42.3-1 pkgconf_2.5.1-4 pkgconf-bin_2.5.1-4 po-debconf_1.0.22 postgresql-client-18_18.6-3 postgresql-client-common_293 postgresql-common_293 postgresql-common-dev_293 postgresql-server-dev-18_18.6-3 postgresql-server-dev-all_293 preview-latex-style_13.2-1.1 procps_2:4.0.7-1 python-babel-localedata_2.18.0+git2026-08-12-3 python3_3.14.8-1 python3-alabaster_1.0.0-2 python3-all_3.14.8-1 python3-all-dev_3.14.8-1 python3-babel_2.18.0+git2026-08-12-3 python3-certifi_2026.10.19+ds-1 python3-chardet_5.2.0+dfsg-2 python3-charset-normalizer_3.4.7-2+b3 python3-commonmark_0.9.2-1 python3-dateutil_3.0.0-2 python3-dev_3.14.8-1 python3-docutils_0.23+dfsg-2 python3-greenlet_3.3.2-5 python3-idna_3.20-1 python3-imagesize_2.0.1-1 python3-iniconfig_2.1.0-2 python3-jinja2_3.1.6-4 python3-linkify-it_2.2.0-1 python3-markdown-it_4.2.0-4 python3-markupsafe_3.0.3-2+b2 python3-mdit-py-plugins_0.6.1-1 python3-mdurl_0.1.2-2 python3-minimal_3.14.8-1 python3-myst-parser_5.1.0-2 python3-numpy_1:2.4.6+ds-5+b1 python3-numpy-dev_1:2.4.6+ds-5+b1 python3-packaging_26.2-3 python3-pandas_2.3.3+dfsg-6 python3-pandas-lib_2.3.3+dfsg-5 python3-pil_13.0.0-1+b1 python3-pluggy_1.6.0-2 python3-pygments_2.20.0+dfsg-2 python3-pytest_9.1.1-1 python3-pytz_2026.5-1 python3-recommonmark_0.7.1+ds-9 python3-requests_2.34.2-1 python3-roman-numerals_4.1.0-1 python3-snowballstemmer_3.1.1-1 python3-sphinx_9.2.0-1 python3-sqlalchemy_2.0.52+ds1-1 python3-typing-extensions_4.16.0-5 python3-uc-micro_2.0.0-1 python3-urllib3_2.8.0-2 python3-yaml_6.0.3-1+b3 python3.14_3.14.10-1 python3.14-dev_3.14.10-1 python3.14-minimal_3.14.10-1 python3.15_3.15.2-1 python3.15-dev_3.15.2-1 python3.15-minimal_3.15.2-1 rapidjson-dev_1.1.0+dfsg2-7.6 readline-common_8.3-4 sed_4.9-3 sensible-utils_0.0.26 sgml-base_1.31+nmu1 shared-mime-info_2.4-5+b2 sphinx-common_9.2.0-1 ssl-cert_1.2.0 systemd_262.1-1 sysvinit-utils_3.18-1 t1utils_1.41-4+b1 tar_1.35+dfsg-6 tex-common_6.21 tex-gyre_20180621-8 texlive-base_2026.20260911-1 texlive-binaries_2026.20260303.78225+ds-5 texlive-fonts-recommended_2026.20260911-1 texlive-latex-base_2026.20260911-1 texlive-latex-extra_2026.20260911-1 texlive-latex-recommended_2026.20260911-1 texlive-pictures_2026.20260911-1 tzdata_2026e-1 ucf_3.0056 util-linux_2.42.4-1 uuid-dev_2.42.4-1 x11-common_1:7.7+26 x11proto-dev_2025.1-1 xdg-utils_1.2.1-2 xfonts-encodings_1:1.0.4-2.2 xfonts-utils_1:7.7+7+b1 xml-core_0.21 xorg-sgml-doctools_1:1.12.1-1 xtrans-dev_1.6.0-1 xz-utils_5.8.4-1 zlib1g_1:1.3.dfsg+really1.3.2-4 zlib1g-dev_1:1.3.dfsg+really1.3.2-4 +------------------------------------------------------------------------------+ | Build Mon, 02 Nov 2026 13:12:54 +0000 | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: rdkit Binary: python3-rdkit, rdkit-doc, rdkit-data, librdkit1t64, librdkit-dev, postgresql-18-rdkit Architecture: any all Version: 202609.1-1 Maintainer: Debichem Team Uploaders: Michael Banck , Andrius Merkys , Roland Mas Homepage: http://www.rdkit.org Standards-Version: 4.7.2 Vcs-Browser: https://salsa.debian.org/debichem-team/rdkit Vcs-Git: https://salsa.debian.org/debichem-team/rdkit.git Testsuite: autopkgtest Testsuite-Triggers: dpkg-dev, postgresql-common-dev, python3-all Build-Depends: architecture-is-64-bit, architecture-is-little-endian, bison, catch2, cmake (>= 4.1.2-1), debhelper-compat (= 13), dh-python, doxygen, flex, imagemagick, latexmk, libboost-dev, libboost-iostreams-dev, libboost-numpy-dev, libboost-program-options-dev, libboost-python-dev, libboost-regex-dev, libboost-thread-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libfreetype-dev, libinchi-dev (>= 1.07.1+dfsg-2), libmaeparser-dev, libringdecomposerlib-dev, librsvg2-bin, libsqlite3-dev, libtbb-dev, pandoc, postgresql-server-dev-all, python3-all-dev, python3-myst-parser, python3-numpy-dev, python3-pandas, python3-pil | python3-imaging, python3-pytest, python3-recommonmark, python3-sphinx, python3-sqlalchemy, rapidjson-dev, tex-gyre, texlive-fonts-recommended, texlive-latex-base, texlive-latex-extra, texlive-latex-recommended Package-List: librdkit-dev deb libdevel optional arch=any librdkit1t64 deb libs optional arch=any postgresql-18-rdkit deb database optional arch=any python3-rdkit deb python optional arch=any rdkit-data deb science optional arch=all rdkit-doc deb doc optional arch=all Checksums-Sha1: 51cd7f7bb9bb05a7e8091a08274b10156c854222 65618536 rdkit_202609.1.orig.tar.xz 6b136082eb6441b37439cacabaee80b07b962a37 50576 rdkit_202609.1-1.debian.tar.xz Checksums-Sha256: cb3e9aa74b5a6ba679f9c2d794f2c3b78ca185078dc3ef184f2d16039571b802 65618536 rdkit_202609.1.orig.tar.xz 610cddd665e830de765a033c22163fb7e4402b6bd3e2bafb74f371b891d5472e 50576 rdkit_202609.1-1.debian.tar.xz Files: 783ee07b1b0bc8efbb4cda4c2d7bd008 65618536 rdkit_202609.1.orig.tar.xz ab046abe7200801a3b01b99274c683a5 50576 rdkit_202609.1-1.debian.tar.xz -----BEGIN PGP SIGNATURE----- iHUEARYKAB0WIQQ9mT++eHAQdiuDyvHYokBlilUePQUCathEvgAKCRDYokBlilUe PWrwAQCnuhk+zZ9cIoe6R8sN+Up6dOTr4qc56x851CgyXce67gD+N49Nstz5aB9X 4ZPCMt72zUJJXjA7UqjbJUKTHH50vQs= =6yUD -----END PGP SIGNATURE----- dpkg-source: warning: cannot verify inline signature for ./rdkit_202609.1-1.dsc: missing OpenPGP keyrings dpkg-source: info: verifying ./rdkit_202609.1-1.dsc dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-keyring.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-tag2upload.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-nonupload.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-maintainers.pgp dpkg-source: info: extracting rdkit in /build/reproducible-path/rdkit-202609.1 dpkg-source: info: unpacking rdkit_202609.1.orig.tar.xz dpkg-source: info: unpacking rdkit_202609.1-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying NoDownloads.patch dpkg-source: info: applying postgres_Makefile_fixes.patch dpkg-source: info: applying sphinx_imgconverter.patch dpkg-source: info: applying postgres_alternative_test_outputs.patch dpkg-source: info: applying sphinx_compile_fixes.patch dpkg-source: info: applying extra_float_digits dpkg-source: info: applying postgres_cmakelists_fixes.patch dpkg-source: info: applying disable_pgsql_test.patch dpkg-source: info: applying fix_inchi_linking.patch dpkg-source: info: applying disable_inchi_test.patch dpkg-source: info: applying disable_python_test.patch dpkg-source: info: applying better_enums.patch dpkg-source: info: applying fix-shebangs.patch dpkg-source: info: applying remove-badges.patch dpkg-source: info: applying fix_distgeom_threadsafety.patch dpkg-source: info: applying fix_substruct_threadsafety.patch dpkg-source: info: applying python_with_soabi.patch dpkg-source: info: applying system-provided-ringdecomposerlib.patch clean up apt cache ------------------ Can't exec "apt-get": No such file or directory at /usr/libexec/sbuild-usernsexec line 613. Failed to exec: apt-get: No such file or directory at /usr/libexec/sbuild-usernsexec line 614. E: cleaning the apt cache failed with 512 Check disk space ---------------- Sufficient free space for build Hack binNMU version ------------------- Created changelog entry for binNMU version 202609.1-1+b1 User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=8 HOME=/sbuild-nonexistent LANG=C.UTF-8 LC_ALL=C.UTF-8 LC_COLLATE=C.UTF-8 LC_CTYPE=C.UTF-8 LOGNAME=sbuild PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SHELL=/bin/sh SOURCE_DATE_EPOCH=1792558062 USER=sbuild dpkg-buildpackage ----------------- Command: dpkg-buildpackage --sanitize-env -us -uc -B dpkg-buildpackage: info: source package rdkit dpkg-buildpackage: info: source version 202609.1-1+b1 dpkg-buildpackage: info: source distribution sid dpkg-buildpackage: info: source changed by loong64 Build Daemon (loongson-conova-02) dpkg-source --before-build . dpkg-buildpackage: info: host architecture loong64 debian/rules clean pg_buildext checkcontrol dh clean --with python3 --buildsystem cmake debian/rules override_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' find /build/reproducible-path/rdkit-202609.1 -name "*.pyc" | xargs rm -f rm -f -r Projects/DbCLI/testData/bzr/ rdkit/Chem/inchi.py rm -f -r Docs/Book/_build Code/docs rdkit/docs Code/doxygen_sqlite3.db rm -f \ Code/ForceField/MMFF/test_data/MMFF94_dative_min.sdf \ Code/ForceField/MMFF/test_data/MMFF94_dative_min_from_SMILES.sdf \ Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min.sdf \ Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min_from_SMILES.sdf \ Code/ForceField/MMFF/test_data/MMFF94_reference.log \ Code/ForceField/MMFF/test_data/MMFF94s_reference.log \ Code/ForceField/MMFF/test_data/testMMFFForceField.log \ Code/GraphMol/Depictor/test_data/cis_trans_cpp.out.sdf \ Code/GraphMol/Depictor/test_data/collisions.out.sdf \ Code/GraphMol/Depictor/test_data/first_200.out.sdf \ Code/GraphMol/Depictor/test_data/test1.out.sdf \ Code/GraphMol/FileParsers/test_data/blah.sdf \ Code/GraphMol/FileParsers/test_data/cdk2_stereo.sdf \ Code/GraphMol/FileParsers/test_data/outNCI_few.sdf \ Code/GraphMol/FileParsers/test_data/outNCI_few.tdt \ Code/GraphMol/FileParsers/test_data/outNCI_first_200.props.sdf \ Code/GraphMol/FileParsers/test_data/outSmiles.csv \ Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue62.sdf \ Code/GraphMol/MolAlign/test_data/ref_e2_pyCrippenO3A.sdf \ Code/GraphMol/SLNParse/lex.yysln.cpp \ Code/GraphMol/SLNParse/sln.tab.cpp \ Code/GraphMol/SLNParse/sln.tab.hpp \ Code/GraphMol/SmilesParse/lex.yysmarts.cpp \ Code/GraphMol/SmilesParse/lex.yysmiles.cpp \ Code/GraphMol/SmilesParse/smarts.tab.cpp \ Code/GraphMol/SmilesParse/smarts.tab.hpp \ Code/GraphMol/SmilesParse/smiles.tab.cpp \ Code/GraphMol/SmilesParse/smiles.tab.hpp \ Code/GraphMol/Wrap/test_data/outNCI_few.sdf \ Code/GraphMol/Wrap/test_data/outSmiles.txt \ Code/RDGeneral/versions.cpp \ Docs/Book/Cartridge.rst \ Docs/Book/Install.rst \ Docs/Book/Overview.rst \ rdkit/ML/Data/test_data/testgeneral.dat.pkl \ rdkit/ML/Data/test_data/testquant.qdat.pkl rm -f Code/RDGeneral/versions.h rdkit/sping/tests/testallps.ps dh_auto_clean rm -f -rf /build/reproducible-path/rdkit-202609.1/build-* rm -f -rf /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-* make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' dh_autoreconf_clean -O--buildsystem=cmake dh_clean -O--buildsystem=cmake debian/rules binary-arch dh binary-arch --with python3 --buildsystem cmake dh_update_autotools_config -a -O--buildsystem=cmake dh_autoreconf -a -O--buildsystem=cmake debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' for py in python3.15 python3.14; do \ dh_auto_configure --builddirectory=build-$py -- -DCMAKE_BUILD_TYPE=None -DCMAKE_SKIP_RPATH=ON -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_OPTIMIZE_POPCNT=OFF -DRDK_USE_URF=OFF -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_PUBCHEMSHAPE_SUPPORT=OFF -DRDK_BUILD_XYZ2MOL_SUPPORT=ON -DRDK_BUILD_CHEMDRAW_SUPPORT=OFF -DBoost_NO_BOOST_CMAKE=TRUE -DCMAKE_INSTALL_PREFIX=/usr -DCATCH_DIR=/usr/include/catch2 -DRDK_BUILD_PGSQL=ON -DRDK_PGSQL_STATIC=OFF -DPostgreSQL_CONFIG=/usr/bin/pg_config -DPostgreSQL_TYPE_INCLUDE_DIR="/usr/include/postgresql/18/server" -DCMAKE_CTEST_ARGUMENTS=--timeout=7200 -DDEB_HOST_MULTIARCH=loongarch64-linux-gnu -DPython3_EXECUTABLE=/usr/bin/$py -DPYTHON_EXECUTABLE=/usr/bin/$py; \ done cd build-python3.15 && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=loongarch64-linux-gnu-pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_C_COMPILER=/usr/bin/loongarch64-linux-gnu-gcc -DCMAKE_CXX_COMPILER=/usr/bin/loongarch64-linux-gnu-g\+\+ -DPKG_CONFIG_EXECUTABLE=/usr/bin/loongarch64-linux-gnu-pkg-config -DPKGCONFIG_EXECUTABLE=/usr/bin/loongarch64-linux-gnu-pkg-config -DCMAKE_INSTALL_LIBDIR=lib/loongarch64-linux-gnu -DCMAKE_BUILD_TYPE=None -DCMAKE_SKIP_RPATH=ON -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_OPTIMIZE_POPCNT=OFF -DRDK_USE_URF=OFF -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_PUBCHEMSHAPE_SUPPORT=OFF -DRDK_BUILD_XYZ2MOL_SUPPORT=ON -DRDK_BUILD_CHEMDRAW_SUPPORT=OFF -DBoost_NO_BOOST_CMAKE=TRUE -DCMAKE_INSTALL_PREFIX=/usr -DCATCH_DIR=/usr/include/catch2 -DRDK_BUILD_PGSQL=ON -DRDK_PGSQL_STATIC=OFF -DPostgreSQL_CONFIG=/usr/bin/pg_config -DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/18/server -DCMAKE_CTEST_ARGUMENTS=--timeout=7200 -DDEB_HOST_MULTIARCH=loongarch64-linux-gnu -DPython3_EXECUTABLE=/usr/bin/python3.15 -DPYTHON_EXECUTABLE=/usr/bin/python3.15 .. -- The C compiler identification is GNU 16.2.0 -- The CXX compiler identification is GNU 16.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/loongarch64-linux-gnu-gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/loongarch64-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Inchi: /usr/lib/loongarch64-linux-gnu/libinchi.so -- Found Python: /usr/bin/python3 (found version "3.14.10") found components: Interpreter Development.Module Development.Embed NumPy -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Found Python: /usr/include/python3.14 (found version "3.14.10") found components: Development Development.Module Development.Embed -- Found Python: /usr/include/python3.14 (found version "3.14.10") found components: NumPy Interpreter Development.Module Python Install directory /usr/lib/python3.14/site-packages nbval not found, disabling the jupyter tests -- Found ZLIB: /usr/lib/loongarch64-linux-gnu/libz.so (found version "1.3.2") -- Found BZip2: /usr/lib/loongarch64-linux-gnu/libbz2.so (found version "1.0.8") -- Looking for BZ2_bzCompressInit -- Looking for BZ2_bzCompressInit - found -- Looking for lzma_auto_decoder in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_auto_decoder in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Looking for lzma_easy_encoder in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_easy_encoder in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Looking for lzma_lzma_preset in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_lzma_preset in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Found LibLZMA: /usr/lib/loongarch64-linux-gnu/liblzma.so (found version "5.8.4") -- Found PostgreSQL: /usr/lib/loongarch64-linux-gnu/libpq.so (found version "18.6") == Using strict rotor definition -- Found Python: /usr/bin/python3 (found version "3.14.10") found components: Interpreter -- Found PkgConfig: /usr/bin/loongarch64-linux-gnu-pkg-config (found version "2.5.1") -- Found Cairo: /usr/include/cairo -- Found Freetype: /usr/lib/loongarch64-linux-gnu/libfreetype.so (found version "2.14.3") postgres: /usr/include/postgresql;/usr/include/postgresql/18/server CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done (4.3s) -- Generating done (2.8s) CMake Warning: Manually-specified variables were not used by the project: Boost_NO_BOOST_CMAKE CATCH_DIR CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY CMAKE_INSTALL_LIBDIR CMAKE_INSTALL_LOCALSTATEDIR CMAKE_INSTALL_RUNSTATEDIR CMAKE_INSTALL_SYSCONFDIR FETCHCONTENT_FULLY_DISCONNECTED PKGCONFIG_EXECUTABLE PYTHON_EXECUTABLE Python3_EXECUTABLE RDK_USE_URF -- Build files have been written to: /build/reproducible-path/rdkit-202609.1/build-python3.15 cd build-python3.14 && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=loongarch64-linux-gnu-pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_C_COMPILER=/usr/bin/loongarch64-linux-gnu-gcc -DCMAKE_CXX_COMPILER=/usr/bin/loongarch64-linux-gnu-g\+\+ -DPKG_CONFIG_EXECUTABLE=/usr/bin/loongarch64-linux-gnu-pkg-config -DPKGCONFIG_EXECUTABLE=/usr/bin/loongarch64-linux-gnu-pkg-config -DCMAKE_INSTALL_LIBDIR=lib/loongarch64-linux-gnu -DCMAKE_BUILD_TYPE=None -DCMAKE_SKIP_RPATH=ON -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_OPTIMIZE_POPCNT=OFF -DRDK_USE_URF=OFF -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_PUBCHEMSHAPE_SUPPORT=OFF -DRDK_BUILD_XYZ2MOL_SUPPORT=ON -DRDK_BUILD_CHEMDRAW_SUPPORT=OFF -DBoost_NO_BOOST_CMAKE=TRUE -DCMAKE_INSTALL_PREFIX=/usr -DCATCH_DIR=/usr/include/catch2 -DRDK_BUILD_PGSQL=ON -DRDK_PGSQL_STATIC=OFF -DPostgreSQL_CONFIG=/usr/bin/pg_config -DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/18/server -DCMAKE_CTEST_ARGUMENTS=--timeout=7200 -DDEB_HOST_MULTIARCH=loongarch64-linux-gnu -DPython3_EXECUTABLE=/usr/bin/python3.14 -DPYTHON_EXECUTABLE=/usr/bin/python3.14 .. -- The C compiler identification is GNU 16.2.0 -- The CXX compiler identification is GNU 16.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/loongarch64-linux-gnu-gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/loongarch64-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Inchi: /usr/lib/loongarch64-linux-gnu/libinchi.so -- Found Python: /usr/bin/python3 (found version "3.14.10") found components: Interpreter Development.Module Development.Embed NumPy -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Found Python: /usr/include/python3.14 (found version "3.14.10") found components: Development Development.Module Development.Embed -- Found Python: /usr/include/python3.14 (found version "3.14.10") found components: NumPy Interpreter Development.Module Python Install directory /usr/lib/python3.14/site-packages nbval not found, disabling the jupyter tests -- Found ZLIB: /usr/lib/loongarch64-linux-gnu/libz.so (found version "1.3.2") -- Found BZip2: /usr/lib/loongarch64-linux-gnu/libbz2.so (found version "1.0.8") -- Looking for BZ2_bzCompressInit -- Looking for BZ2_bzCompressInit - found -- Looking for lzma_auto_decoder in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_auto_decoder in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Looking for lzma_easy_encoder in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_easy_encoder in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Looking for lzma_lzma_preset in /usr/lib/loongarch64-linux-gnu/liblzma.so -- Looking for lzma_lzma_preset in /usr/lib/loongarch64-linux-gnu/liblzma.so - found -- Found LibLZMA: /usr/lib/loongarch64-linux-gnu/liblzma.so (found version "5.8.4") -- Found PostgreSQL: /usr/lib/loongarch64-linux-gnu/libpq.so (found version "18.6") == Using strict rotor definition -- Found Python: /usr/bin/python3 (found version "3.14.10") found components: Interpreter -- Found PkgConfig: /usr/bin/loongarch64-linux-gnu-pkg-config (found version "2.5.1") -- Found Cairo: /usr/include/cairo -- Found Freetype: /usr/lib/loongarch64-linux-gnu/libfreetype.so (found version "2.14.3") postgres: /usr/include/postgresql;/usr/include/postgresql/18/server CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done (4.3s) -- Generating done (2.8s) CMake Warning: Manually-specified variables were not used by the project: Boost_NO_BOOST_CMAKE CATCH_DIR CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY CMAKE_INSTALL_LIBDIR CMAKE_INSTALL_LOCALSTATEDIR CMAKE_INSTALL_RUNSTATEDIR CMAKE_INSTALL_SYSCONFDIR FETCHCONTENT_FULLY_DISCONNECTED PKGCONFIG_EXECUTABLE PYTHON_EXECUTABLE Python3_EXECUTABLE RDK_USE_URF -- Build files have been written to: /build/reproducible-path/rdkit-202609.1/build-python3.14 for v in $(pg_buildext supported-versions); do \ (mkdir -p Code/PgSQL/rdkit/build-$v && cd Code/PgSQL/rdkit/build-$v && cmake -DPostgreSQL_CONFIG=/usr/lib/postgresql/$v/bin/pg_config -DRDK_PGSQL_STATIC=OFF -DPostgreSQL_TYPE_INCLUDE_DIR="/usr/include/postgresql/$v/server" -DCMAKE_VERBOSE_MAKEFILE=1 -DRDKit_CodeDir=../../../Code ../); \ done -- The C compiler identification is GNU 16.2.0 -- The CXX compiler identification is GNU 16.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found PostgreSQL: /usr/lib/loongarch64-linux-gnu/libpq.so (found version "18.6") postgres: /usr/include/postgresql;/usr/include/postgresql/18/server CMake Warning (dev) at CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at CMakeLists.txt:311 (add_custom_command): Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming POST_BUILD to preserve backward compatibility. Policy CMP0175 is not set: add_custom_command() rejects invalid arguments. Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done (0.9s) -- Generating done (0.0s) -- Build files have been written to: /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18 make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' for py in python3.15 python3.14; do \ dh_auto_build --builddirectory=build-$py; \ done cd build-python3.15 && make -j8 INSTALL="install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' /usr/bin/cmake -S/build/reproducible-path/rdkit-202609.1 -B/build/reproducible-path/rdkit-202609.1/build-python3.15 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202609.1/build-python3.15/CMakeFiles /build/reproducible-path/rdkit-202609.1/build-python3.15//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 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directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build make -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/build make -f 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o [ 1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o [ 1%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o [ 1%] Built target coordgen_support [ 1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ML/Cluster/Murtagh && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202609.1/Code/ML/Cluster/Murtagh/hc.c cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o -MF CMakeFiles/RDStreams.dir/streams.cpp.o.d -o CMakeFiles/RDStreams.dir/streams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDStreams/streams.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/GA && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/utils.cpp [ 1%] Linking CXX shared library ../../../../lib/libRDKithc.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2026.09.1 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 1%] Built target hc [ 1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/GA && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202609.1/External/GA/util/Util.cpp [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2026.09.1 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 1%] Built target ga [ 1%] Linking CXX shared library ../../lib/libRDKitRDStreams.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDStreams && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDStreams.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/RDStreams.dir/link.d -Wl,-soname,libRDKitRDStreams.so.1 -o ../../lib/libRDKitRDStreams.so.1.2026.09.1 CMakeFiles/RDStreams.dir/streams.cpp.o /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDStreams && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDStreams.so.1.2026.09.1 ../../lib/libRDKitRDStreams.so.1 ../../lib/libRDKitRDStreams.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 1%] Built target RDStreams [ 1%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeneral.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/RDGeneral.dir/link.d -Wl,-soname,libRDKitRDGeneral.so.1 -o ../../lib/libRDKitRDGeneral.so.1.2026.09.1 CMakeFiles/RDGeneral.dir/Invariant.cpp.o CMakeFiles/RDGeneral.dir/types.cpp.o CMakeFiles/RDGeneral.dir/utils.cpp.o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o CMakeFiles/RDGeneral.dir/RDLog.cpp.o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o CMakeFiles/RDGeneral.dir/versions.cpp.o -ldl /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/cmake -E cmake_symlink_library 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color=" testRDValue make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o [ 2%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o [ 2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o [ 2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testRDValue.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/EigenSolvers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -MF CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o.d -o CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/catch_dict.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDBoost && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDBoost_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDBOOST_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -isystem /usr/include/python3.14 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDBoost/Wrap.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/catch_logs.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.cpp make -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/Query /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Query 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-DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/Query/CMakeFiles/testQuery.dir/test.cpp.o -MF CMakeFiles/testQuery.dir/test.cpp.o.d -o CMakeFiles/testQuery.dir/test.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Query/test.cpp In file included from /usr/include/c++/16/vector:68, from /usr/include/c++/16/chrono:63, from /usr/include/catch2/benchmark/catch_clock.hpp:13, from /usr/include/catch2/benchmark/detail/catch_benchmark_stats_fwd.hpp:11, from /usr/include/catch2/interfaces/catch_interfaces_capture.hpp:16, from /usr/include/catch2/benchmark/catch_benchmark.hpp:19, from /usr/include/catch2/benchmark/catch_benchmark_all.hpp:24, from /usr/include/catch2/catch_all.hpp:25, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:12: In member function ‘constexpr std::vector<_Tp, _Alloc>::size_type std::vector<_Tp, _Alloc>::size() const [with _Tp = int; _Alloc = std::allocator]’, inlined from ‘constexpr std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = int; _Alloc = std::allocator]’ at /usr/include/c++/16/bits/stl_vector.h:623:61, inlined from ‘T RDKit::rdvalue_cast(RDValue_cast_t) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:119:41, inlined from ‘T RDKit::rdany_cast(RDAny&) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:185:35, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:307:5: /usr/include/c++/16/bits/stl_vector.h:1109:41: warning: array subscript ‘const std::vector[0]’ is partly outside array bounds of ‘unsigned char [16]’ [-Warray-bounds=] 1109 | ptrdiff_t __dif = this->_M_impl._M_finish - this->_M_impl._M_start; | ~~~~~~~~~~~~~~^~~~~~~~~ In file included from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:39, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Dict.h:22, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h:28, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:13: In constructor ‘RDKit::RDValue::RDValue(const T&) [with T = std::vector*]’, inlined from ‘RDKit::RDAny::RDAny(const T&) [with T = std::vector*]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:75:23, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:305:14: /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h:238:15: note: object of size 16 allocated by ‘operator new’ 238 | : value(new std::any(v)), type(RDTypeTag::AnyTag) {} | ^~~~~~~~~~~~~~~ In member function ‘constexpr std::vector<_Tp, _Alloc>::size_type std::vector<_Tp, _Alloc>::size() const [with _Tp = int; _Alloc = std::allocator]’, inlined from ‘constexpr std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = int; _Alloc = std::allocator]’ at /usr/include/c++/16/bits/stl_vector.h:623:61, inlined from ‘T RDKit::rdvalue_cast(RDValue_cast_t) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:119:41, inlined from ‘T RDKit::rdany_cast(RDAny&) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:185:35, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:307:5: /usr/include/c++/16/bits/stl_vector.h:1109:67: warning: array subscript ‘const std::vector[0]’ is partly outside array bounds of ‘unsigned char [16]’ [-Warray-bounds=] 1109 | ptrdiff_t __dif = this->_M_impl._M_finish - this->_M_impl._M_start; | ~~~~~~~~~~~~~~^~~~~~~~ In constructor ‘RDKit::RDValue::RDValue(const T&) [with T = std::vector*]’, inlined from ‘RDKit::RDAny::RDAny(const T&) [with T = std::vector*]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:75:23, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:305:14: /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h:238:15: note: object of size 16 allocated by ‘operator new’ 238 | : value(new std::any(v)), type(RDTypeTag::AnyTag) {} | ^~~~~~~~~~~~~~~ [ 3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Catalogs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCatalogs_EXPORTS 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CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogParams.cpp [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Catalogs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogEntry.cpp [ 3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/HierarchicalClusterPicker.cpp [ 3%] Linking CXX shared library ../../lib/libRDKitCatalogs.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2026.09.1 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 3%] Built target Catalogs [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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4%] Built target testMatCalc [ 4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/RealValueVect.cpp [ 4%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so cd 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 4%] Built target SimDivPickers make -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make 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Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/testPickers.cpp [ 4%] Linking CXX executable testQuery cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/libCatch2.a /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 4%] Built target testQuery [ 4%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -o 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 4%] Built target Clustering [ 4%] Linking CXX executable testSimDivPickers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSimDivPickers.dir/link.d CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 4%] Built target testSimDivPickers [ 4%] Linking CXX shared library ../../lib/libRDKitDataStructs.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/DataStructs.dir/link.d -Wl,-soname,libRDKitDataStructs.so.1 -o ../../lib/libRDKitDataStructs.so.1.2026.09.1 CMakeFiles/DataStructs.dir/BitVect.cpp.o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o CMakeFiles/DataStructs.dir/Utils.cpp.o CMakeFiles/DataStructs.dir/base64.cpp.o CMakeFiles/DataStructs.dir/BitOps.cpp.o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/DataStructs.dir/FPBReader.cpp.o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 4%] Built target DataStructs make -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend make -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/depend make -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend make -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend make -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/Geometry /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color=" RDGeometryLib make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/DataStructs /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake "--color=" testDataStructs make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/testMultiFPB.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/Wrap/LeaderPicker.cpp [ 5%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry && 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/usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 5%] Built target RDGeometryLib [ 5%] Building CXX object 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/wrap_FPB.cpp [ 6%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so cd 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Numerics/Alignment/AlignPoints.cpp [ 7%] Linking CXX shared library ../../../lib/libRDKitAlignment.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared 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11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Matrices.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RingInfo.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o -MF CMakeFiles/GraphMol.dir/Conformer.cpp.o.d -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Conformer.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Renumber.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -MF CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o.d -o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/AdjustQuery.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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CMakeFiles/GraphMol.dir/Atropisomers.cpp.o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o CMakeFiles/GraphMol.dir/MolProps.cpp.o CMakeFiles/GraphMol.dir/Subset.cpp.o ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../lib/libRDKitGraphMol.so.1 ../../lib/libRDKitGraphMol.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 13%] Built target GraphMol make -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/depend make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend make -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend 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directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 13%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o [ 13%] Building CXX object 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-DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParse.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GenericGroups && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGenericGroups_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERICGROUPS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -MF CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GenericGroups/GenericGroups.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPMol.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/Subgraphs.cpp [ 13%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o [ 13%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o [ 13%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerParams.cpp [ 13%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/Trajectory.dir/link.d -Wl,-soname,libRDKitTrajectory.so.1 -o ../../../lib/libRDKitTrajectory.so.1.2026.09.1 CMakeFiles/Trajectory.dir/Trajectory.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 13%] Built target Trajectory [ 13%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/SubgraphUtils.cpp [ 14%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParseOps.cpp [ 14%] Linking CXX executable molrangesTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molrangesTestsCatch.dir/link.txt 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 15%] Built target GenericGroups [ 15%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.cpp /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse && 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smarts.tab.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smarts.tab.cpp: In function ‘int yysmarts_parse(const char*, std::vector*, RDKit::Atom*&, RDKit::Bond*&, unsigned int&, unsigned int&, std::vector >&, void*, int&, unsigned int&)’: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smarts.tab.cpp:72:25: warning: variable ‘yysmarts_nerrs’ set but not used [-Wunused-but-set-variable=] 72 | #define yynerrs yysmarts_nerrs | ^~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smarts.tab.cpp:1346:9: note: in expansion of macro ‘yynerrs’ 1346 | int yynerrs = 0; | ^~~~~~~ /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp: In function ‘int yysmiles_parse(const char*, std::vector*, RDKit::Atom*&, RDKit::Bond*&, unsigned int&, unsigned int&, std::vector >&, void*, int&, unsigned int&)’: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp:72:25: warning: variable ‘yysmiles_nerrs’ set but not used [-Wunused-but-set-variable=] 72 | #define yynerrs yysmiles_nerrs | ^~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp:1096:9: note: in expansion of macro ‘yynerrs’ 1096 | int yynerrs = 0; | ^~~~~~~ [ 16%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2026.09.1 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 16%] Built target ShapeHelpers [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/lex.yysmiles.cpp [ 16%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogParams.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule2.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule3.cpp make -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202609.1/build-python3.15 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/Parser.cpp make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202609.1/build-python3.15 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNParse.cpp [ 16%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1 make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap 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-isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o -MF CMakeFiles/rdqueries.dir/rdqueries.cpp.o.d -o CMakeFiles/rdqueries.dir/rdqueries.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/rdqueries.cpp /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d 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-Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp [ 18%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.cpp [ 18%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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-std=gnu++20 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/lex.yysln.cpp /home/rodrigue/Documents/code/rdkit_builder/rdkit/Code/GraphMol/SLNParse/sln.tab.cpp: In function ‘int yysln_parse(const char*, std::vector*, bool, void*)’: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/sln.tab.cpp:66:17: warning: variable ‘yysln_nerrs’ set but not used [-Wunused-but-set-variable=] 66 | #define yynerrs yysln_nerrs | ^~~~~~~~~~~ /home/rodrigue/Documents/code/rdkit_builder/rdkit/Code/GraphMol/SLNParse/sln.tab.cpp:1298:7: note: in expansion of macro ‘yynerrs’ [ 18%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 18%] Built target CIPLabeler [ 18%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructUtils.cpp [ 18%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/testMacroMol.dir/testMacroMol.cpp.o -MF CMakeFiles/testMacroMol.dir/testMacroMol.cpp.o.d -o CMakeFiles/testMacroMol.dir/testMacroMol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/testMacroMol.cpp [ 21%] Linking CXX executable graphmolcpTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 21%] Built target graphmolcpTest make -f Code/GraphMol/CMakeFiles/ringSystemsTest.dir/build.make Code/GraphMol/CMakeFiles/ringSystemsTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CMakeFiles/ringSystemsTest.dir/DependInfo.cmake "--color=" ringSystemsTest make[4]: Leaving 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ring_systems_test.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/test2.cpp [ 23%] Linking CXX executable graphmolMemTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/Filters.cpp [ 23%] Linking CXX executable queryTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-DBOOST_THREAD_USE_DLL -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterCatalog.cpp [ 23%] Linking CXX executable molbundleTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1 [ 23%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smatest.cpp [ 23%] Linking CXX executable ringSystemsTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/ringSystemsTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g 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Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS 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make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 24%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/PartialCharges && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o -MF CMakeFiles/testPartialCharges.dir/test1.cpp.o.d -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/test1.cpp [ 24%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so cd 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../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library 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Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatParams.cpp [ 24%] Linking CXX executable subgraphsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch ../../RDGeneral/librdkitCatch.a 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 27%] Built target MolChemicalFeatures make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o -MF CMakeFiles/testSLNParse.dir/test.cpp.o.d -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/test.cpp [ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 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/build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color=" rdSLNParse make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 27%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/Wrap 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 27%] Built target rdMolCatalog [ 27%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations && /usr/bin/loongarch64-linux-gnu-g++ -DAbbreviations_EXPORTS -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.cpp [ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairs.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2026.09.1 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 28%] Built target Abbreviations make -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o -MF CMakeFiles/ForceField.dir/ForceField.cpp.o.d -o CMakeFiles/ForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitGaussianShape.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_link_script CMakeFiles/GaussianShape.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/GaussianShape.dir/link.d 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1 ../../../lib/libRDKitGaussianShape.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 28%] Built target GaussianShape [ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/FiniteDifference.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/FiniteDifference.cpp.o -MF CMakeFiles/ForceField.dir/FiniteDifference.cpp.o.d -o CMakeFiles/ForceField.dir/FiniteDifference.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/FiniteDifference.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2026.09.1 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 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28%] Linking CXX executable testOptimizer cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitOptimizer.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 28%] Built target testOptimizer [ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField && 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.cpp make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color=" graphmolqueryTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 28%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/querytest.cpp [ 29%] Linking CXX executable testSLNParse cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 29%] Built target testSLNParse [ 29%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 29%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK 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CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 33%] Built target Fingerprints [ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/DepictUtils.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -o ../../../../rdkit/Chem/rdReducedGraphs.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 33%] Built target rdReducedGraphs [ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/hashfunctions.cpp [ 36%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/normalize.cpp [ 36%] Linking CXX shared library ../../lib/libRDKitForceField.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenterJSONParser.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenterJSONParser.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenterJSONParser.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.cpp [ 36%] Linking CXX shared library ../../../lib/libRDKitMolHash.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2026.09.1 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2026.09.1 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 36%] Built target MolHash [ 37%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolZip.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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../../lib/libRDKitRDInchiLib.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2026.09.1 CMakeFiles/RDInchiLib.dir/inchi.cpp.o /usr/lib/loongarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../lib/libRDKitGenericGroups.so.1.2026.09.1 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-ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2026.09.1 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 37%] Built target RDInchiLib make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers 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-DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp [ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -o ../../../../rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 37%] Built target rdDepictor make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make 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Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp [ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -o ../../../../rdkit/Chem/rdMHFPFingerprint.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 37%] Built target rdMHFPFingerprint [ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp [ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp [ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp [ 38%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 38%] Built target rdFingerprintGenerator [ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/TDTWriter.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/TplFileParser.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/TplFileWriter.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -MF CMakeFiles/FileParsers.dir/CMLWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CMLWriter.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFileParsers_EXPORTS 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/XYZFileParser.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceWriters.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o -MF CMakeFiles/FileParsers.dir/SVGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SVGParser.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SVGParser.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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../../../lib/libRDKitFileParsers.so.1.2026.09.1 CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o CMakeFiles/FileParsers.dir/SCSRMolFileParser.cpp.o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDWriter.cpp.o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o CMakeFiles/FileParsers.dir/PDBParser.cpp.o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o 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/usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1 ../../../lib/libRDKitFileParsers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 42%] Built target FileParsers make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/depend make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build make -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/testPicklerGlobalSettings.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Crippen.cpp [ 42%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o [ 42%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o [ 42%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o [ 42%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/molopstest.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -MF CMakeFiles/hanoiTest.dir/hanoitest.cpp.o.d -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/hanoitest.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/External/CoordGen && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202609.1/External/CoordGen/test.cpp [ 42%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/BCUT.cpp [ 42%] Linking CXX executable graphmoltestPicklerGlobalSetting cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/resMolSupplierTest.cpp [ 44%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now 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../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E 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Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp make -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color=" molBundleTest make[4]: Leaving 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 45%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../lib/libRDKitAlignment.so.1.2026.09.1 ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 45%] Built target graphmoltestPickler [ 45%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MQN.cpp [ 45%] Linking CXX executable resMolSupplierTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest ../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.09.1 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/test-valgrind.cpp make -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color=" graphmolTestsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 46%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionWriter.cpp [ 49%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.cpp [ 51%] Linking CXX executable testAtropisomers cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp [ 54%] Linking CXX executable testGeneralFileReader cd 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../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRDStreams.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a 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&& /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o -MF CMakeFiles/testSequence.dir/testSequence.cpp.o.d -o CMakeFiles/testSequence.dir/testSequence.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testSequence.cpp make -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -MF CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o.d -o CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp [ 54%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1 [ 54%] Linking CXX executable testTplParser cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp [ 55%] Linking CXX executable testSequence cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target testSequence make -f Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E 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CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build.make 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-Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitRDStreams.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a 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Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp [ 55%] Linking CXX executable testExtendedStereoParsing cd 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target testExtendedStereoParsing make -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -MF CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o.d -o CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp [ 55%] Linking CXX executable fileParsersTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1 [ 55%] Linking CXX executable testMolWriter cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target testMolWriter make -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/DependInfo.cmake "--color=" connectTheDotsTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f 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CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/connectTheDots_catch.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target fileParsersTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/DependInfo.cmake "--color=" v2MolSuppliers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -MF CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o.d -o CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp [ 55%] Linking CXX executable macromolsCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/macromolsCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/macromolsCatchTest.dir/link.d CMakeFiles/macromolsCatchTest.dir/macromols_catch.cpp.o -o macromolsCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target macromolsCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color=" v2FileParsersCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp [ 55%] Linking CXX executable XYZFileParserCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat 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../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target XYZFileParserCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/DependInfo.cmake "--color=" atropisomersCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/build.make 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/atropisomers_catch.cpp [ 55%] Linking CXX executable connectTheDotsTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target connectTheDotsTest make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 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-DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o -MF CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o.d -o CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/fileParsersIterTest.cpp [ 55%] Linking CXX executable v2FileParsersCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1 [ 55%] Linking CXX executable v2MolSuppliers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target v2FileParsersCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color=" multithreadedSupplierCatchTest make[4]: Leaving directory 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-DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -MF CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o.d -o CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp [ 55%] Linking CXX executable testPropertyLists cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2MolSuppliers.dir/link.d 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 55%] Built target v2MolSuppliers make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/catch_tests.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o -MF CMakeFiles/testReaction.dir/testReaction.cpp.o.d -o CMakeFiles/testReaction.dir/testReaction.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testReaction.cpp [ 56%] Linking CXX executable cdxmlParserCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 56%] Built target cdxmlParserCatchTest make -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd 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/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp [ 56%] Linking CXX executable atropisomersCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/atropisomersCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/atropisomersCatch.dir/link.d CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o -o atropisomersCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 56%] Built target atropisomersCatch make -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color=" testEnumeration make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -MF CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp In file included from /usr/include/c++/16/bits/stl_pair.h:61, from /usr/include/c++/16/bits/stl_algobase.h:63, from /usr/include/c++/16/algorithm:62, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:10: In function ‘constexpr void std::swap(_Tp&, _Tp&) [with _Tp = basic_istream*]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1773:11, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/move.h:240:11: warning: array subscript 7 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 240 | __b = _GLIBCXX_MOVE(__tmp); | ^ In file included from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:697, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:25: In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 56 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ In file included from /usr/include/c++/16/bits/shared_ptr.h:53, from /usr/include/c++/16/memory:82, from /usr/include/boost/iterator/iterator_facade.hpp:11, from /usr/include/boost/range/iterator_range_core.hpp:27, from /usr/include/boost/range/iterator_range.hpp:13, from /usr/include/boost/iostreams/traits.hpp:38, from /usr/include/boost/iostreams/detail/call_traits.hpp:15, from /usr/include/boost/iostreams/detail/adapter/device_adapter.hpp:22, from /usr/include/boost/iostreams/tee.hpp:18, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDLog.h:16, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Invariant.h:21, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h:27, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h:16, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/test_fixtures.h:16, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:17: In member function ‘void std::__shared_count<_Lp>::_M_swap(std::__shared_count<_Lp>&) [with __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1774:21, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/shared_ptr_base.h:1165:32: warning: array subscript 8 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 1165 | _Sp_counted_base<_Lp>* __tmp = __r._M_pi; | ^~~~~ In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 64 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ In member function ‘void std::__shared_count<_Lp>::_M_swap(std::__shared_count<_Lp>&) [with __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1774:21, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/shared_ptr_base.h:1166:19: warning: array subscript 8 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 1166 | __r._M_pi = _M_pi; | ~~~~~~~~~~^~~~~~~ In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 64 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ [ 56%] Linking CXX executable fileParsersIteratorsTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersIteratorsTest.dir/link.txt --verbose=1 [ 56%] Linking CXX executable multithreadedSupplierCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersIteratorsTest.dir/link.d CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o -o fileParsersIteratorsTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libtbb.so.12.19 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 56%] Built target fileParsersIteratorsTest make -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp [ 59%] Linking CXX executable chemTransformsTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall 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cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 59%] Built target rxnTestCatch [ 59%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Tautomer.cpp make -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color=" testAUTOCORR2D make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp [ 59%] Linking CXX executable testFragCatalog cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog ../../../lib/libRDKitFragCatalog.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 59%] Built target testFragCatalog [ 59%] Linking CXX executable filterCatalogTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script 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-DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 59%] Built target filterCatalogTest [ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK 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/usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 65%] Built target testMolTransforms make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color=" rdForceFieldHelpers make[4]: Leaving 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp [ 65%] Linking CXX executable molTransformsTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 65%] Built target molTransformsTestCatch make -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make 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/usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 65%] Built target testFingerprintGenerators make -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.15 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 66%] Built target testFingerprints make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color=" MolDraw2D make[4]: Leaving directory 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/usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 66%] Built target rdMolDescriptors [ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK 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-I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp [ 66%] Linking CXX executable molAlignCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1 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directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 66%] Built target molAlignCatchTest [ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp [ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdForceFieldHelpers.dir/link.d -o ../../../../rdkit/Chem/rdForceFieldHelpers.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 66%] Built target rdForceFieldHelpers [ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDrawOptionsJSONParsers.cpp [ 66%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so cd 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../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2026.09.1 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 66%] Built target O3AAlign [ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/AtomSymbol.cpp [ 67%] Linking CXX executable testMolCatalog cd 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../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 67%] Built target testMolCatalog [ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp [ 67%] Linking CXX executable testFeatures cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFeatures.dir/link.d 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp [ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp make -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.cpp [ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/PositionVariation.cpp [ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp [ 68%] Linking CXX shared library ../../../lib/libRDKitMMPA.so cd 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../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2026.09.1 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 68%] Built target MMPA [ 68%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalCluster.cpp [ 68%] Linking CXX executable molHashCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molHashCatchTest.dir/link.d 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testNormalize.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawText.cpp [ 71%] Linking CXX executable molInterchangeCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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/usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 71%] Built target molInterchangeCatchTest [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT 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-std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp [ 71%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 71%] Built target MolEnumerator [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp [ 71%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB 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/usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/ChiralityOps.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testValidate.cpp [ 71%] Linking CXX executable molNormalizeTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. 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../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 71%] Built target molNormalizeTest [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextJS.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 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-DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFT.cpp [ 72%] Linking CXX executable molValidateTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 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Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake 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/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2026.09.1 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 72%] Built target MolDraw2D [ 72%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Validate.cpp [ 72%] Linking CXX executable molFragmentTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 72%] Built target molFragmentTest [ 72%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Charge.cpp [ 72%] Linking CXX executable molTautomerTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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molStandardizeTautomerCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 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molStandardizeTautomerCatch [ 72%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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/usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 72%] Built target rdmolops [ 73%] Building CXX object 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Code/Bench/CMakeFiles/bench.dir/descriptors.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Bench && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/Bench/CMakeFiles/bench.dir/descriptors.cpp.o -MF CMakeFiles/bench.dir/descriptors.cpp.o.d -o CMakeFiles/bench.dir/descriptors.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Bench/descriptors.cpp [ 74%] Linking CXX executable testAbbreviations cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 74%] Built target rdMolEnumerator [ 74%] Building CXX object Code/Bench/CMakeFiles/bench.dir/meta.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Bench && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.cpp [ 74%] Linking CXX executable testMolEnumerator cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1 make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/Wrap/ForceField.cpp [ 74%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistViolationContribs.cpp [ 74%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.cpython-314-loongarch64-linux-gnu.so cd 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 75%] Built target DistGeometry [ 75%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/TautomerQuery.cpp make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make 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CMakeFiles/bench.dir/molops.cpp.o CMakeFiles/bench.dir/pickle.cpp.o CMakeFiles/bench.dir/smiles.cpp.o CMakeFiles/bench.dir/stereo.cpp.o CMakeFiles/bench.dir/substruct_match.cpp.o CMakeFiles/bench.dir/inchi.cpp.o -o bench ../RDGeneral/librdkitCatch.a ../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../lib/libRDKitRDInchiLib.so.1.2026.09.1 /usr/lib/libCatch2.a ../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../lib/libRDKitChemTransforms.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../lib/libRDKitSubgraphs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../lib/libRDKitSubstructMatch.so.1.2026.09.1 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-ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Built target bench make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color=" moldraw2DTestCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f 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Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/catch_tests.cpp [ 76%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-soname,libRDKitTautomerQuery.so.1 -o 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/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Built target TautomerQuery make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/rxn_test1.cpp make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/testFMCS_Unit.cpp [ 76%] Linking CXX executable graphmolTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time 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../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitRDGeneral.so.1.2026.09.1 -ldl /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Built target graphmolTest1 make -f Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/DependInfo.cmake "--color=" testFMCSCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Built target rdMolAlign make -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color=" rdFMCS make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 76%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libcairo.so /usr/lib/loongarch64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 77%] Built target moldraw2DRxnTest1 make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color=" FMCStest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 78%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Test/testFMCS.cpp [ 78%] Linking CXX executable testFMCSCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCSCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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/usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2026.09.1 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 78%] Built target MarvinParser make -f 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79%] Linking CXX executable FMCStest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest ../../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 79%] Built target FMCStest make -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES 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-std=gnu++20 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/mces_catch.cpp [ 79%] Linking CXX executable testMMPA cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMPA.dir/link.d CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -o testMMPA ../../../lib/libRDKitMMPA.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 79%] Built target testMMPA make -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 79%] Built target rdMMPA make -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES/Wrap 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-O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp [ 79%] Linking CXX executable testFMCS cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 79%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GeneralizedSubstruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp [ 79%] Linking CXX executable moldraw2DTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1 [ 79%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp [ 85%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/SDMolSupplier.cpp [ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp [ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro 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/usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_op.c [ 88%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/PDBWriter.cpp [ 88%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/cache.c [ 88%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o cd 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o CMakeFiles/rdkit.dir/bitstring.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bitstring.c [ 89%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o -MF CMakeFiles/rdkit.dir/rdkit_io.c.o.d -o CMakeFiles/rdkit.dir/rdkit_io.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/rdkit_io.c [ 89%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKITVER=\"007700\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2026.09.1\" 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/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/rxn_op.c [ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp [ 89%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKITVER=\"007700\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2026.09.1\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/sfp_op.c [ 89%] Linking CXX shared library librdkit.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro 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../../../lib/libRDKitMolHash.so.1.2026.09.1 ../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcairo.so /usr/lib/loongarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 -ldl /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit/sql cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit/data cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/PgSQL/rdkit/expected make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 89%] Built target rdkit [ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp [ 89%] Linking CXX shared module ../../../rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1 [ 89%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/DependInfo.cmake "--color=" testCoulombMat make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 92%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External 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../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 92%] Built target testGenericGroups make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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/usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp [ 93%] Linking CXX executable testMrvToMol cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol ../../../lib/libRDKitMarvinParser.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 93%] Built target testMrvToMol make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/DependInfo.cmake "--color=" testMMFFForceFieldHelpersMultiThread make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 93%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp [ 93%] Linking CXX executable tautomerQueryTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 93%] Built target tautomerQueryTestCatch make -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake "--color=" testUFFForceFieldHelpers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 93%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 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../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 93%] Built target testCoulombMat make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/DependInfo.cmake "--color=" testCrystalForceField make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -MF CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o.d -o CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp [ 94%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1 [ 94%] Linking CXX executable cxsmilesTest cd 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../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target rdTautomerQuery make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/DependInfo.cmake "--color=" crystalForceFieldCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o -MF CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/catch_tests.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color=" testDistGeomHelpers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/catch_tests.cpp [ 94%] Linking CXX executable testMMFFForceFieldHelpersMultiThread cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target testMMFFForceFieldHelpersMultiThread make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/DependInfo.cmake "--color=" testDgeomHelpersGH3019 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o -MF CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o.d -o CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/testGithub3019.cpp [ 94%] Linking CXX executable testCrystalForceField cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCrystalForceField.dir/link.d CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -o testCrystalForceField ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target testCrystalForceField make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/DependInfo.cmake "--color=" rdDistGeom make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_MAX_ARITY=32 -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDistGeom_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp [ 94%] Linking CXX executable testMMFFForceFieldHelpers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpers.dir/link.d CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target testMMFFForceFieldHelpers make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color=" testMolAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/testMolAlign.cpp [ 94%] Linking CXX executable testDgeomHelpersGH3019 cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDgeomHelpersGH3019.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing 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../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -D TARGET_NAME=testDgeomHelpersGH3019 -D TEST_BINARY=/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 -D CTEST_FILE=/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019-sharded-tests-impl-085d098.cmake -D SHARD_COUNT=2 -D REPORTER_SPEC= -D TEST_SPEC= -P /usr/lib/cmake/Catch2/CatchShardTestsImpl.cmake make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target testDgeomHelpersGH3019 make -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color=" testO3AAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -MF CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o.d -o CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/testO3AAlign.cpp [ 94%] Linking CXX executable crystalForceFieldCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystalForceFieldCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/crystalForceFieldCatch.dir/link.d CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o -o crystalForceFieldCatch ../../../RDGeneral/librdkitCatch.a ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Built target crystalForceFieldCatch make -f Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/build.make Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/DependInfo.cmake "--color=" testGaussianShape make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/build.make Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 94%] Building CXX object Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o -MF CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o.d -o CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/catch_tests.cpp [ 95%] Linking CXX executable testUFFForceFieldHelpers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake 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../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Built target testUFFForceFieldHelpers make -f Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/DependInfo.cmake "--color=" EnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DEnumerateStereoisomers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_ENUMERATESTEREOISOMERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o -MF CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o.d -o CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp [ 95%] Linking CXX executable testMolAlign cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script 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../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Built target testMolAlign [ 95%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DEnumerateStereoisomers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_ENUMERATESTEREOISOMERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o -MF CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o.d -o CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Flippers.cpp [ 95%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1 [ 95%] Linking CXX executable testDistGeomHelpers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1 [ 95%] Linking CXX executable testO3AAlign cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeomHelpers.dir/link.d CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -D TARGET_NAME=testDistGeomHelpers -D TEST_BINARY=/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers -D CTEST_FILE=/build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers-sharded-tests-impl-eb7a95a.cmake -D SHARD_COUNT=4 -D REPORTER_SPEC= -D TEST_SPEC= -P /usr/lib/cmake/Catch2/CatchShardTestsImpl.cmake make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Built target testDistGeomHelpers make -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color=" SubstructLibrary make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testO3AAlign.dir/link.d CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign ../../../lib/libRDKitO3AAlign.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1 ../../../lib/libRDKitEnumerateStereoisomers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 95%] Built target EnumerateStereoisomers make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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/usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 96%] Built target gaExample make -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF /build/reproducible-path/rdkit-202609.1/build-python3.15 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/testMMFFForceField.cpp [ 96%] Linking CXX executable testGaussianShape cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGaussianShape.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGaussianShape.dir/link.d CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o -o testGaussianShape ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libtbb.so.12.19 /usr/lib/libCatch2.a ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 96%] Built target testGaussianShape make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp [ 96%] Linking CXX executable rgroupCatchTests cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong 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/usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary && 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make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 97%] Built target SubstructLibrary [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp [ 97%] Linking CXX executable testRGroupDecomp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp ../../RDGeneral/librdkitCatch.a 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/usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 97%] Built target testRGroupDecomp [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL 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testMMFFForceField [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 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-c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp [ 97%] Linking CXX executable testEnumerateStereoisomers cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEnumerateStereoisomers.dir/link.d CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o -o testEnumerateStereoisomers ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 97%] Built target testEnumerateStereoisomers [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp make -f Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/DependInfo.cmake "--color=" rdEnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 97%] Building CXX object Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdEnumerateStereoisomers_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o -MF CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o.d -o CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Wrap/rdEnumerateStereoisomers.cpp make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color=" substructLibraryTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make 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'/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/catch_tests.cpp [ 98%] Linking CXX shared module ../../../../rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdEnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdEnumerateStereoisomers.dir/link.d -o ../../../../rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o ../../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 98%] Built target rdEnumerateStereoisomers [ 98%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 99%] Built target substructLibraryCatchTest [ 99%] Linking CXX executable substructLibraryTest cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryTest.dir/link.d CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 99%] Built target substructLibraryTest [ 99%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceHitSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonShapeInput.cpp.o CMakeFiles/SynthonSpaceSearch.dir/MemoryMappedFileReader.cpp.o ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [ 99%] Built target SynthonSpaceSearch make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceSubstructureSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceFingerprintSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceRascalSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceShapeSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd /build/reproducible-path/rdkit-202609.1/build-python3.15 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15 /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color=" rdSynthonSpaceSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build make -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/fingerprint_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/shape_search_catch_tests.cpp [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/rascal_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -o ../../../../rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o ../../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target rdSubstructLibrary [100%] Linking CXX executable testSynthonSpaceRascalSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceRascalSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceRascalSearch.dir/link.d CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -o testSynthonSpaceRascalSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target testSynthonSpaceRascalSearch [100%] Linking CXX executable testSynthonSpaceFingerprintSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceFingerprintSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceFingerprintSearch.dir/link.d CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -o testSynthonSpaceFingerprintSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target testSynthonSpaceFingerprintSearch [100%] Linking CXX executable testSynthonSpaceShapeSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceShapeSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-ld.bfd: CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o: in function `.LVL5988': ./build-python3.15/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/shape_search_catch_tests.cpp:169:(.text+0x46d0): warning: the use of `tmpnam' is dangerous, better use `mkstemp' /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceShapeSearch.dir/link.d CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -o testSynthonSpaceShapeSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target testSynthonSpaceShapeSearch [100%] Linking CXX executable testSynthonSpaceSubstructureSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-ld.bfd: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `.LVL7026': ./build-python3.15/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp:416:(.text+0x75ac): warning: the use of `tmpnam' is dangerous, better use `mkstemp' /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target testSynthonSpaceSubstructureSearch [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../../lib/libRDKithc.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' [100%] Built target rdSynthonSpaceSearch make[3]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202609.1/build-python3.15/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd build-python3.14 && make -j8 INSTALL="install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' /usr/bin/cmake -S/build/reproducible-path/rdkit-202609.1 -B/build/reproducible-path/rdkit-202609.1/build-python3.14 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start 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-DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202609.1/Code/ML/Cluster/Murtagh/hc.c cd 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o -MF CMakeFiles/RDGeneral.dir/versions.cpp.o.d -o CMakeFiles/RDGeneral.dir/versions.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/versions.cpp [ 1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/External/GA && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202609.1/External/GA/util/Util.cpp [ 1%] Linking CXX static library librdkitCatch.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -P CMakeFiles/rdkitCatch.dir/cmake_clean_target.cmake cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkitCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-ar qc librdkitCatch.a CMakeFiles/rdkitCatch.dir/catch_main.cpp.o /usr/bin/loongarch64-linux-gnu-ranlib librdkitCatch.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 1%] Built target rdkitCatch [ 1%] Linking CXX shared library ../../lib/libRDKitga.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/External/GA && /usr/bin/cmake -E cmake_link_script CMakeFiles/ga.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ga.dir/link.d -Wl,-soname,libRDKitga.so.1 -o ../../lib/libRDKitga.so.1.2026.09.1 CMakeFiles/ga.dir/ga/StringChromosome.cpp.o CMakeFiles/ga.dir/ga/Chromosome.cpp.o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/util/RandomUtil.cpp.o CMakeFiles/ga.dir/util/Util.cpp.o /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2026.09.1 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 1%] Built target ga [ 1%] Linking CXX shared library ../../lib/libRDKitRDStreams.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDStreams && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDStreams.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/RDStreams.dir/link.d -Wl,-soname,libRDKitRDStreams.so.1 -o ../../lib/libRDKitRDStreams.so.1.2026.09.1 CMakeFiles/RDStreams.dir/streams.cpp.o /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDStreams && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDStreams.so.1.2026.09.1 ../../lib/libRDKitRDStreams.so.1 ../../lib/libRDKitRDStreams.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 1%] Built target RDStreams [ 1%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeneral.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/RDGeneral.dir/link.d -Wl,-soname,libRDKitRDGeneral.so.1 -o ../../lib/libRDKitRDGeneral.so.1.2026.09.1 CMakeFiles/RDGeneral.dir/Invariant.cpp.o CMakeFiles/RDGeneral.dir/types.cpp.o CMakeFiles/RDGeneral.dir/utils.cpp.o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o CMakeFiles/RDGeneral.dir/RDLog.cpp.o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o CMakeFiles/RDGeneral.dir/versions.cpp.o -ldl /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeneral.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1 ../../lib/libRDKitRDGeneral.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 1%] Built target RDGeneral make -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/depend make -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend make -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend make -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make 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/usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color=" testRDValue make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color=" testConcurrentQueue make[4]: 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Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o [ 2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o -MF CMakeFiles/testDict.dir/testDict.cpp.o.d -o CMakeFiles/testDict.dir/testDict.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF 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Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o [ 2%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB 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/build/reproducible-path/rdkit-202609.1/Code/DataStructs/SparseBitVect.cpp [ 2%] Linking CXX shared library ../../../lib/libRDKitEigenSolvers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_link_script CMakeFiles/EigenSolvers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/EigenSolvers.dir/link.d -Wl,-soname,libRDKitEigenSolvers.so.1 -o ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 2%] Built target EigenSolvers [ 2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/ExplicitBitVect.cpp [ 2%] Linking CXX executable testConcurrentQueue cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConcurrentQueue.dir/link.txt --verbose=1 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-DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/DistPicker.cpp [ 3%] Linking CXX executable dictTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/dictTestsCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/dictTestsCatch.dir/link.d CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -o dictTestsCatch librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/libCatch2.a /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 3%] Built target dictTestsCatch [ 3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT 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Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/HierarchicalClusterPicker.cpp In file included from /usr/include/c++/16/vector:68, from /usr/include/c++/16/chrono:63, from /usr/include/catch2/benchmark/catch_clock.hpp:13, from /usr/include/catch2/benchmark/detail/catch_benchmark_stats_fwd.hpp:11, from /usr/include/catch2/interfaces/catch_interfaces_capture.hpp:16, from /usr/include/catch2/benchmark/catch_benchmark.hpp:19, from /usr/include/catch2/benchmark/catch_benchmark_all.hpp:24, from /usr/include/catch2/catch_all.hpp:25, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:12: In member function ‘constexpr std::vector<_Tp, _Alloc>::size_type std::vector<_Tp, _Alloc>::size() const [with _Tp = int; _Alloc = std::allocator]’, inlined from ‘constexpr std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = int; _Alloc = std::allocator]’ at /usr/include/c++/16/bits/stl_vector.h:623:61, inlined from ‘T RDKit::rdvalue_cast(RDValue_cast_t) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:119:41, inlined from ‘T RDKit::rdany_cast(RDAny&) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:185:35, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:307:5: /usr/include/c++/16/bits/stl_vector.h:1109:41: warning: array subscript ‘const std::vector[0]’ is partly outside array bounds of ‘unsigned char [16]’ [-Warray-bounds=] 1109 | ptrdiff_t __dif = this->_M_impl._M_finish - this->_M_impl._M_start; | ~~~~~~~~~~~~~~^~~~~~~~~ In file included from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:39, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Dict.h:22, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h:28, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:13: In constructor ‘RDKit::RDValue::RDValue(const T&) [with T = std::vector*]’, inlined from ‘RDKit::RDAny::RDAny(const T&) [with T = std::vector*]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:75:23, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:305:14: /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h:238:15: note: object of size 16 allocated by ‘operator new’ 238 | : value(new std::any(v)), type(RDTypeTag::AnyTag) {} | ^~~~~~~~~~~~~~~ In member function ‘constexpr std::vector<_Tp, _Alloc>::size_type std::vector<_Tp, _Alloc>::size() const [with _Tp = int; _Alloc = std::allocator]’, inlined from ‘constexpr std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = int; _Alloc = std::allocator]’ at /usr/include/c++/16/bits/stl_vector.h:623:61, inlined from ‘T RDKit::rdvalue_cast(RDValue_cast_t) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h:119:41, inlined from ‘T RDKit::rdany_cast(RDAny&) [with T = std::vector]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:185:35, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:307:5: /usr/include/c++/16/bits/stl_vector.h:1109:67: warning: array subscript ‘const std::vector[0]’ is partly outside array bounds of ‘unsigned char [16]’ [-Warray-bounds=] 1109 | ptrdiff_t __dif = this->_M_impl._M_finish - this->_M_impl._M_start; | ~~~~~~~~~~~~~~^~~~~~~~ In constructor ‘RDKit::RDValue::RDValue(const T&) [with T = std::vector*]’, inlined from ‘RDKit::RDAny::RDAny(const T&) [with T = std::vector*]’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h:75:23, inlined from ‘void CATCH2_INTERNAL_TEST_2()’ at /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/testDict.cpp:305:14: /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h:238:15: note: object of size 16 allocated by ‘operator new’ 238 | : value(new std::any(v)), type(RDTypeTag::AnyTag) {} | ^~~~~~~~~~~~~~~ [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DiscreteDistMat.cpp [ 3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Catalogs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogParams.cpp [ 3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Catalogs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogEntry.cpp [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 4%] Built target DataStructs make -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend make -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/depend make -f 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Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/testDatastructs.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -MF CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o.d -o CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT 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-DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/testMultiFPB.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Geometry/point.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/libCatch2.a /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 4%] Built target testQuery [ 4%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD 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shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/Wrap/LeaderPicker.cpp [ 5%] Linking CXX executable pickersTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl [ 7%] Built target InfoTheory make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 7%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/wrap_BitOps.cpp [ 7%] Built target rdSimDivPickers [ 7%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryBond.cpp [ 7%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ChemicalFeatures.dir/link.d -Wl,-soname,libRDKitChemicalFeatures.so.1 -o ../../lib/libRDKitChemicalFeatures.so.1.2026.09.1 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../../lib/libRDKitChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 7%] Built target ChemicalFeatures [ 7%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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../../../lib/libRDKitAlignment.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/Alignment.dir/link.d -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2026.09.1 CMakeFiles/Alignment.dir/AlignPoints.cpp.o ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 7%] Built target Alignment [ 7%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.cpp make -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Geometry/testTransforms.cpp make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/Geometry /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/Geometry/catch_tests.cpp [ 7%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap && /usr/bin/loongarch64-linux-gnu-g++ 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8%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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Code/GraphMol/CMakeFiles/GraphMol.dir/MacroMol.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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Code/GraphMol/CMakeFiles/GraphMol.dir/MacroMolTemplate.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PeriodicTable.cpp [ 10%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -o 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Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/AtomIterators.cpp [ 11%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -o 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 11%] Built target rdInfoTheory [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 11%] Built target testChemicalFeatures [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Kekulize.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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-MT Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -MF CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o.d -o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ConjugHybrid.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD 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11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Matrices.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RingInfo.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o -MF CMakeFiles/GraphMol.dir/Conformer.cpp.o.d -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Conformer.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Renumber.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION 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Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -MF CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o.d -o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/WedgeBonds.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o -MF CMakeFiles/GraphMol.dir/MolProps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolProps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProps.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Subset.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Subset.cpp.o -MF CMakeFiles/GraphMol.dir/Subset.cpp.o.d -o CMakeFiles/GraphMol.dir/Subset.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subset.cpp [ 13%] Linking CXX shared library ../../lib/libRDKitGraphMol.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E 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CMakeFiles/GraphMol.dir/Atropisomers.cpp.o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o CMakeFiles/GraphMol.dir/MolProps.cpp.o CMakeFiles/GraphMol.dir/Subset.cpp.o ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../lib/libRDKitGraphMol.so.1 ../../lib/libRDKitGraphMol.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 13%] Built target GraphMol make -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/depend make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend make -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend 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Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o [ 13%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o [ 13%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o [ 13%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GenericGroups && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL 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CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GenericGroups/GenericGroups.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerParams.cpp [ 13%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so cd 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 13%] Built target Trajectory [ 13%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/SubgraphUtils.cpp [ 13%] Linking CXX executable molrangesTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_link_script 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Digraph.cpp [ 14%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParseOps.cpp [ 14%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 14%] Built target PartialCharges [ 14%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Node.cpp [ 15%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 15%] Built target MolTransforms [ 15%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1 [ 15%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp [ 16%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs && 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 16%] Built target Subgraphs [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesJSONParsers.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Sort.cpp [ 16%] Linking CXX executable tableTestsCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/Writer.cpp [ 16%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d -Wl,-soname,libRDKitMolCatalog.so.1 -o ../../../lib/libRDKitMolCatalog.so.1.2026.09.1 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2026.09.1 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 16%] Built target MolCatalog [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK 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CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/lex.yysmarts.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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16%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ShapeHelpers.dir/link.d -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2026.09.1 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2026.09.1 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 16%] Built target ShapeHelpers [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp: In function ‘int yysmiles_parse(const char*, std::vector*, RDKit::Atom*&, RDKit::Bond*&, unsigned int&, unsigned int&, std::vector >&, void*, int&, unsigned int&)’: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp:72:25: warning: variable ‘yysmiles_nerrs’ set but not used [-Wunused-but-set-variable=] 72 | #define yynerrs yysmiles_nerrs | ^~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/smiles.tab.cpp:1096:9: note: in expansion of macro ‘yynerrs’ 1096 | int yynerrs = 0; | ^~~~~~~ [ 16%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -o ../../../../rdkit/Chem/rdMolTransforms.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 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Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp [ 18%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/cptest.cpp [ 19%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -o ../../../rdkit/Chem/rdqueries.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/itertest.cpp [ 20%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2026.09.1 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 20%] Built target SLNParse make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/DependInfo.cmake "--color=" graphmolMemTest1 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 20%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/memtest1.cpp [ 20%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 20%] Built target CIPLabeler make -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 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-DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/catch_queries.cpp [ 21%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -o ../../../rdkit/Chem/rdChemicalFeatures.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o ../../../lib/libRDKitChemicalFeatures.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 21%] Built target rdChemicalFeatures make -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.14 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-DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/catch_molbundle.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2026.09.1 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2026.09.1 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 21%] Built target MolInterchange make -f Code/GraphMol/CMakeFiles/testMacroMol.dir/build.make Code/GraphMol/CMakeFiles/testMacroMol.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol /build/reproducible-path/rdkit-202609.1/build-python3.14 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/ringSystemsTest.dir/ring_systems_test.cpp.o -MF CMakeFiles/ringSystemsTest.dir/ring_systems_test.cpp.o.d -o CMakeFiles/ringSystemsTest.dir/ring_systems_test.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ring_systems_test.cpp make -f Code/GraphMol/CMakeFiles/testMacroMolTemplate.dir/build.make Code/GraphMol/CMakeFiles/testMacroMolTemplate.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/testMacroMolTemplate.dir/testMacroMolTemplate.cpp.o -MF CMakeFiles/testMacroMolTemplate.dir/testMacroMolTemplate.cpp.o.d -o CMakeFiles/testMacroMolTemplate.dir/testMacroMolTemplate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/testMacroMolTemplate.cpp [ 22%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 22%] Built target SubstructMatch make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color=" smiTest2 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/test2.cpp [ 22%] Linking CXX executable graphmolIterTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest ../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 22%] Built target graphmolIterTest make -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202609.1/build-python3.14 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&& /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/catch_tests.cpp make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so make[4]: Leaving directory 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cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2026.09.1 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 26%] Building CXX object Code/GraphMol/GaussianShape/CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DGaussianShape_EXPORTS 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CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o.d -o CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/SingleConformerAlignment.cpp [ 26%] Built target FragCatalog make -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color=" 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Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -MF CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o.d -o CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp [ 26%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 26%] Built target MolChemicalFeatures make -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp [ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -o ../../../../rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o 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/usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 27%] Built target rdCIPLabeler make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color=" testSLNParse make[4]: Leaving directory 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.cpp [ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.cpython-314-loongarch64-linux-gnu.so cd 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27%] Built target rdMolInterchange [ 28%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT 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CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairs.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/Abbreviations.dir/link.d -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2026.09.1 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2026.09.1 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 28%] Built target Abbreviations [ 28%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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/build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitGaussianShape.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_link_script CMakeFiles/GaussianShape.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/GaussianShape.dir/link.d -Wl,-soname,libRDKitGaussianShape.so.1 -o ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 CMakeFiles/GaussianShape.dir/GaussianShape.cpp.o CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/FiniteDifference.cpp.o -MF CMakeFiles/ForceField.dir/FiniteDifference.cpp.o.d -o CMakeFiles/ForceField.dir/FiniteDifference.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/FiniteDifference.cpp [ 29%] Linking CXX executable testSLNParse cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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-DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.cpp [ 29%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2026.09.1 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 29%] Built target MolAlign [ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceField_EXPORTS -DRDKIT_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp [ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/OopBend.cpp [ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintUtil.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Params.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdGaussianShape.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGaussianShape.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/Templates.cpp make -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/External/CoordGen/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color=" rdCoordGen make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 33%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.cpython-314-loongarch64-linux-gnu.so cd 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../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 33%] Built target rdfiltercatalog [ 33%] Linking CXX shared library ../../lib/libRDKitForceField.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2026.09.1 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/FiniteDifference.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o ../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2026.09.1 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 33%] Built target ForceField make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp [ 34%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 35%] Built target Depictor [ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/PlanarityContribs.cpp.o 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-fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp [ 36%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1 make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 39%] Built target rdFingerprintGenerator [ 39%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1 [ 39%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -o ../../../../rdkit/Chem/rdMolHash.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o ../../../../lib/libRDKitMolHash.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 39%] Built target rdMolHash /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ChemTransforms.dir/link.d -Wl,-soname,libRDKitChemTransforms.so.1 -o ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenterJSONParser.cpp.o CMakeFiles/ChemTransforms.dir/MolZip.cpp.o ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/TDTWriter.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/TplFileWriter.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MaeMolSupplier.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MaeWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MaeWriter.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o -MF CMakeFiles/FileParsers.dir/SVGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SVGParser.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SVGParser.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFileParsers_EXPORTS -DRDKIT_DYN_LINK 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp: In function ‘void __static_initialization_and_destruction_0()’: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp:629:1: note: variable tracking size limit exceeded with ‘-fvar-tracking-assignments’, retrying without 629 | } // namespace ForceFields | ^ [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp [ 42%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro 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../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 42%] Built target ForceFieldHelpers make -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/depend make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolSurf.cpp [ 42%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom && /usr/bin/cmake -E 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 42%] Built target DistGeometry [ 42%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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-std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Lipinski.cpp [ 42%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolInteractionFields.dir/link.d -Wl,-soname,libRDKitMolInteractionFields.so.1 -o ../../../lib/libRDKitMolInteractionFields.so.1.2026.09.1 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2026.09.1 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 42%] Built target MolInteractionFields [ 42%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202609.1/External/CoordGen/test.cpp [ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. 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../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 42%] Built target rdForceFieldHelpers [ 42%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MQN.cpp make -f 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/OxidationNumbers.cpp [ 45%] Linking CXX executable graphmoltestPicklerGlobalSetting cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_link_script 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/PBF.cpp [ 47%] Linking CXX executable resMolSupplierTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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/usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 47%] Built target graphmoltestPickler [ 48%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK 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/usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 50%] Built target graphmolMolOpsTest [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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smartsTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 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/usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 52%] Built target smiTest1 [ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color=" testMolSupplier make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -MF CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o.d -o CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testMolSupplier.cpp [ 52%] Linking CXX executable testDepictor cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/PreprocessRxn.cpp [ 54%] Linking CXX executable testSquiggleDoubleBonds cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time 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Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o -MF CMakeFiles/testTplParser.dir/testTpls.cpp.o.d -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testTpls.cpp [ 54%] Linking CXX executable depictorCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1 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directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 54%] Built target depictorCatch [ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 55%] Built target testGeneralFileReader [ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -MF CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o.d -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testMol2ToMol.cpp [ 55%] Linking CXX executable testTplParser cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp [ 55%] Linking CXX executable testMolSupplier cd 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/usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target testSequence make -f Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/DependInfo.cmake "--color=" macromolsCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/macromols_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/macromols_catch.cpp.o -MF CMakeFiles/macromolsCatchTest.dir/macromols_catch.cpp.o.d -o CMakeFiles/macromolsCatchTest.dir/macromols_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/macromols_catch.cpp [ 56%] Linking CXX executable testMol2ToMol cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target testMol2ToMol make -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/DependInfo.cmake "--color=" testPropertyLists make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -MF CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o.d -o CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/testPropertyLists.cpp [ 56%] Linking CXX executable testExtendedStereoParsing cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target testExtendedStereoParsing make -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color=" XYZFileParserCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f 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-DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -MF CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o.d -o CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp [ 56%] Linking CXX executable testMolWriter cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target testMolWriter make -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target ChemReactions make -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -MF CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o.d -o CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/connectTheDots_catch.cpp [ 56%] Linking CXX executable macromolsCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/macromolsCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/macromolsCatchTest.dir/link.d 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target macromolsCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -MF CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o.d -o CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp [ 56%] Linking CXX executable connectTheDotsTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1 [ 56%] Linking CXX executable XYZFileParserCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target connectTheDotsTest make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color=" v2FileParsersCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target XYZFileParserCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/DependInfo.cmake "--color=" atropisomersCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o -MF CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o.d -o CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/atropisomers_catch.cpp [ 56%] Linking CXX executable molfileStereoCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1 [ 56%] Linking CXX executable fileParsersTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target molfileStereoCatchTest make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/DependInfo.cmake "--color=" fileParsersIteratorsTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o -MF CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o.d -o CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/fileParsersIterTest.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target fileParsersTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color=" multithreadedSupplierCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -MF CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o.d -o CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp [ 56%] Linking CXX executable v2FileParsersCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target v2FileParsersCatchTest make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color=" testSubstructMatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/testSubstructMatch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/testSubstructMatch.cpp.o -MF CMakeFiles/testSubstructMatch.dir/testSubstructMatch.cpp.o.d -o CMakeFiles/testSubstructMatch.dir/testSubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/testSubstructMatch.cpp [ 56%] Linking CXX executable atropisomersCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/atropisomersCatch.dir/link.txt --verbose=1 [ 56%] Linking CXX executable cdxmlParserCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1 [ 56%] Linking CXX executable testPropertyLists cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/atropisomersCatch.dir/link.d CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o -o atropisomersCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target atropisomersCatch make -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color=" substructTestCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/catch_tests.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 56%] Built target cdxmlParserCatchTest make -f 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'/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 57%] Built target testPropertyLists make -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake "--color=" testReactionFingerprints make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp In file included from /usr/include/c++/16/bits/stl_pair.h:61, from /usr/include/c++/16/bits/stl_algobase.h:63, from /usr/include/c++/16/algorithm:62, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:10: In function ‘constexpr void std::swap(_Tp&, _Tp&) [with _Tp = basic_istream*]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1773:11, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/move.h:240:11: warning: array subscript 7 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 240 | __b = _GLIBCXX_MOVE(__tmp); | ^ In file included from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:697, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:25: In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 56 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ In file included from /usr/include/c++/16/bits/shared_ptr.h:53, from /usr/include/c++/16/memory:82, from /usr/include/boost/iterator/iterator_facade.hpp:11, from /usr/include/boost/range/iterator_range_core.hpp:27, from /usr/include/boost/range/iterator_range.hpp:13, from /usr/include/boost/iostreams/traits.hpp:38, from /usr/include/boost/iostreams/detail/call_traits.hpp:15, from /usr/include/boost/iostreams/detail/adapter/device_adapter.hpp:22, from /usr/include/boost/iostreams/tee.hpp:18, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDLog.h:16, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Invariant.h:21, from /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h:27, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h:16, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/test_fixtures.h:16, from /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:17: In member function ‘void std::__shared_count<_Lp>::_M_swap(std::__shared_count<_Lp>&) [with __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1774:21, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/shared_ptr_base.h:1165:32: warning: array subscript 8 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 1165 | _Sp_counted_base<_Lp>* __tmp = __r._M_pi; | ^~~~~ In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 64 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ In member function ‘void std::__shared_count<_Lp>::_M_swap(std::__shared_count<_Lp>&) [with __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::swap(std::__shared_ptr<_Tp, _Lp>&) [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1774:21, inlined from ‘void std::__shared_ptr<_Tp, _Lp>::reset() [with _Tp = std::basic_istream; __gnu_cxx::_Lock_policy _Lp = __gnu_cxx::_S_atomic]’ at /usr/include/c++/16/bits/shared_ptr_base.h:1729:28, inlined from ‘virtual void RDKit::v2::FileParsers::MaeMolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:674:45, inlined from ‘virtual void RDKit::v1::MolSupplier::close()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:65:25, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3453:18: /usr/include/c++/16/bits/shared_ptr_base.h:1166:19: warning: array subscript 8 is outside array bounds of ‘void [32]’ [-Warray-bounds=] 1166 | __r._M_pi = _M_pi; | ~~~~~~~~~~^~~~~~~ In constructor ‘RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(std::istream*, bool, bool, bool, bool)’, inlined from ‘void CATCH2_INTERNAL_TEST_176()’ at /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/file_parsers_catch.cpp:3450:47: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h:101:40: note: at offset 64 into object of size 32 allocated by ‘operator new’ 101 | inStream, takeOwnership, params)); | ^ [ 57%] Linking CXX executable v2MolSuppliers cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2MolSuppliers.dir/link.d CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -o v2MolSuppliers ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 57%] Built target v2MolSuppliers make -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color=" testEnumeration make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f 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CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp [ 57%] Linking CXX executable multithreadedSupplierCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/multithreadedSupplierCatchTest.dir/link.d CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -o multithreadedSupplierCatchTest 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp [ 66%] Linking CXX executable testCoulombMat cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/catch_tests.cpp make -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp [ 66%] Linking CXX executable testMHFPFingerprint cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Built target testMHFPFingerprint make -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color=" testMolTransforms make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Built target MolStandardize make -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms/catch_tests.cpp [ 66%] Linking CXX executable descriptorsTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/descriptorsTestCatch.dir/link.d 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Built target descriptorsTestCatch make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make 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'/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 66%] Built target testMolTransforms make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF 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-DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp [ 67%] Linking CXX executable molTransformsTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 67%] Built target molTransformsTestCatch make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make 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-Wl,--dependency-file=CMakeFiles/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 68%] Built target fpGenTestCatch make -f 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/usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 68%] Built target forceFieldHelpersCatch make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -MF CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o.d -o CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp [ 69%] Linking CXX executable fpTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpTestCatch.dir/link.d CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target fpTestCatch make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/DependInfo.cmake "--color=" crystalForceFieldCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o -MF CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/crystalForceFieldCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/catch_tests.cpp [ 69%] Linking CXX executable testFingerprintGenerators cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target testFingerprintGenerators make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color=" testDistGeomHelpers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make 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-DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp [ 69%] Linking CXX executable testMMFFForceFieldHelpersMultiThread cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target testMMFFForceFieldHelpersMultiThread make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/DependInfo.cmake "--color=" distGeomHelpersCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/catch_tests.cpp [ 69%] Linking CXX executable testFingerprints cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target testFingerprints make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/DependInfo.cmake "--color=" testDgeomHelpersGH3019 make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o -MF CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o.d -o CMakeFiles/testDgeomHelpersGH3019.dir/testGithub3019.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/testGithub3019.cpp [ 69%] Linking CXX executable testCrystalForceField cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 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/usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target testMMFFForceFieldHelpers make -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color=" O3AAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f 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-DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/testMolAlign.cpp /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target rdMolDescriptors make -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color=" molAlignCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/catch_tests.cpp [ 69%] Linking CXX executable testDgeomHelpersGH3019 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDgeomHelpersGH3019.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDgeomHelpersGH3019.dir/link.d 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../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -D TARGET_NAME=testDgeomHelpersGH3019 -D TEST_BINARY=/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 -D CTEST_FILE=/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019-sharded-tests-impl-085d098.cmake -D SHARD_COUNT=2 -D REPORTER_SPEC= -D TEST_SPEC= -P /usr/lib/cmake/Catch2/CatchShardTestsImpl.cmake make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Built target testDgeomHelpersGH3019 make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color=" testFeatures make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 69%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp [ 70%] Linking CXX executable testUFFForceFieldHelpers cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d 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../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp [ 70%] Linking CXX executable molAlignCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1 [ 70%] Linking CXX executable testMolAlign cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Built target testMolAlign make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o -MF CMakeFiles/testMolCatalog.dir/test1.cpp.o.d -o CMakeFiles/testMolCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/test1.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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[ 70%] Building CXX object Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/GaussianShape/CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o -MF CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o.d -o CMakeFiles/testGaussianShape.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/catch_tests.cpp [ 70%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/O3AAlign.dir/link.d -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2026.09.1 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2026.09.1 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Built target O3AAlign make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color=" MolDraw2D make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o cd 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp [ 70%] Linking CXX executable testShapeHelpers cd 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../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Built target testShapeHelpers [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp [ 70%] Linking CXX executable testFeatures cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFeatures.dir/link.d CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures ../../../lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Built target testFeatures [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp [ 70%] Linking CXX executable testDistGeomHelpers cd 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/usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -D TARGET_NAME=testDistGeomHelpers -D TEST_BINARY=/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers -D CTEST_FILE=/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers-sharded-tests-impl-eb7a95a.cmake -D SHARD_COUNT=4 -D 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-DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp [ 70%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdDistGeom.dir/link.d -o ../../../../rdkit/Chem/rdDistGeom.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 70%] Built target rdDistGeom [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB 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-Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/TargetMatch.cpp.o -MF CMakeFiles/FMCS.dir/TargetMatch.cpp.o.d -o CMakeFiles/FMCS.dir/TargetMatch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/TargetMatch.cpp [ 71%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DFMCS_EXPORTS -DRDKIT_DYN_LINK 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../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp make -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/DependInfo.cmake "--color=" MMPA 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/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA.cpp [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT 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object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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/usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 72%] Built target FMCS [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp make -f Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o -MF CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o.d -o CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp [ 73%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o cd 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/DetermineBonds/CMakeFiles/DetermineBonds.dir/DetermineBonds.cpp.o -MF CMakeFiles/DetermineBonds.dir/DetermineBonds.cpp.o.d -o CMakeFiles/DetermineBonds.dir/DetermineBonds.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/DetermineBonds.cpp [ 73%] Linking CXX shared library ../../../lib/libRDKitEnumerateStereoisomers.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers && 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/usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1 ../../../lib/libRDKitEnumerateStereoisomers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 73%] Built target 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'/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 73%] Built target Deprotect [ 73%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/rdmolops.cpp [ 73%] Linking CXX shared library ../../../lib/libRDKitDetermineBonds.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds && /usr/bin/cmake -E cmake_link_script CMakeFiles/DetermineBonds.dir/link.txt --verbose=1 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/usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDetermineBonds.so.1.2026.09.1 ../../../lib/libRDKitDetermineBonds.so.1 ../../../lib/libRDKitDetermineBonds.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 73%] Built target DetermineBonds [ 74%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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/usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 75%] Built target RascalMCES [ 75%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFT.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testNormalize.cpp [ 76%] Linking CXX executable molInterchangeTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp [ 76%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target MolEnumerator [ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testValidate.cpp [ 76%] Linking CXX executable molInterchangeCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a -ldl /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target molInterchangeCatchTest [ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color=" molChargeTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make 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-DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testCharge.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color=" molTautomerTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f 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directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color=" molStandardizeSmallTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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/usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libcairo.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2026.09.1 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target MolDraw2D make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/DependInfo.cmake "--color=" molStandardizeCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/catch_tests.cpp [ 76%] Linking CXX executable molValidateTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target molValidateTest make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/testPipeline.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/DependInfo.cmake "--color=" molStandardizeTautomerCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/tautomer_catch.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTautomerCatch.dir/tautomer_catch.cpp.o -MF CMakeFiles/molStandardizeTautomerCatch.dir/tautomer_catch.cpp.o.d -o CMakeFiles/molStandardizeTautomerCatch.dir/tautomer_catch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/tautomer_catch.cpp [ 76%] Linking CXX executable molChargeTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target molChargeTest make -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/DependInfo.cmake "--color=" rdMolStandardize make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp [ 76%] Linking CXX executable molStandardizeSmallTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 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/build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molFragmentTest.dir/link.d CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -o molFragmentTest ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Charge.cpp [ 76%] Linking CXX executable molStandardizeTautomerCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script 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/usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target molStandardizeTautomerCatch [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp [ 76%] Linking CXX executable molTautomerTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script 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/usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 76%] Built target molTautomerTest [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp [ 76%] Linking CXX executable molStandardizePipelineTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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-isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Metal.cpp [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp make -f 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -MF CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o.d -o CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProcessing/MolProcessing.cpp [ 77%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/TautomerQuery.cpp [ 79%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.cpython-314-loongarch64-linux-gnu.so cd 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/catch_tests.cpp make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E 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-I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/rxn_test1.cpp [ 79%] Linking CXX executable testO3AAlign cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ 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/usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 79%] Built target testO3AAlign make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Wrap 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/usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 80%] Built target bench make -f Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o -MF CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o.d -o CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/testFMCS_catch_tests.cpp [ 80%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time 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/usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2026.09.1 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 80%] Built target MarvinParser make -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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-I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp [ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1 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../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 80%] Built target rdMolAlign make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend make[4]: 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Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA_UnitTest.cpp [ 82%] Linking CXX executable testFMCSCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCSCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCSCatch.dir/link.d CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o -o testFMCSCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFMCS.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 82%] Built target testFMCSCatch make -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 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/build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color=" rdRascalMCES make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make 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Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp [ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -o 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../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 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Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp [ 83%] Linking CXX executable testFMCS cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS ../../../lib/libRDKitFMCS.so.1.2026.09.1 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/usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target testFMCS [ 83%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK 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-g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp [ 83%] Linking CXX executable moldraw2DTest1 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time 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/usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libcairo.so /usr/lib/loongarch64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target moldraw2DTest1 make -f Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/DependInfo.cmake "--color=" testEnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/build.make Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o -MF CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o.d -o CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/catch_tests.cpp [ 83%] Linking CXX executable testRascalCluster cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o -MF CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o.d -o CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Wrap/rdEnumerateStereoisomers.cpp [ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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/usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target rdRascalMCES make -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color=" testCIPLabeler make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPMol.cpp [ 83%] Linking CXX executable testRascalMCES cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES 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/usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target testRascalMCES [ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_CIPLABELER_LOCAL_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPLabeler.cpp [ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdEnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdEnumerateStereoisomers.dir/link.d -o ../../../../rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o ../../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target rdEnumerateStereoisomers [ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_CIPLABELER_LOCAL_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Mancude.cpp [ 83%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 83%] Built target GeneralizedSubstruct [ 83%] Linking CXX executable testEnumerateStereoisomers cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumerateStereoisomers.dir/link.txt --verbose=1 [ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_CIPLABELER_LOCAL_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Digraph.cpp /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEnumerateStereoisomers.dir/link.d CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o -o testEnumerateStereoisomers ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 84%] Built target testEnumerateStereoisomers [ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_CIPLABELER_LOCAL_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Node.cpp [ 84%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o ../../../../lib/libRDKitMolDraw2D.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcairo.so /usr/lib/loongarch64-linux-gnu/libfreetype.so /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 84%] Built target rdMolDraw2D [ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_CIPLABELER_LOCAL_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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'/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 86%] Building CXX object Code/GraphMol/DetermineBonds/CMakeFiles/determineBondsCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 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/usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 87%] Built target deprotectTest [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fvisibility=hidden -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp make -f Code/GraphMol/DetermineBonds/Wrap/CMakeFiles/rdDetermineBonds.dir/build.make Code/GraphMol/DetermineBonds/Wrap/CMakeFiles/rdDetermineBonds.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/DetermineBonds/Wrap/CMakeFiles/rdDetermineBonds.dir/rdDetermineBonds.cpp.o -MF CMakeFiles/rdDetermineBonds.dir/rdDetermineBonds.cpp.o.d -o CMakeFiles/rdDetermineBonds.dir/rdDetermineBonds.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/Wrap/rdDetermineBonds.cpp [ 87%] Building CXX object 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module ../../../../rdkit/Chem/rdDeprotect.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -o ../../../../rdkit/Chem/rdDeprotect.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o ../../../../lib/libRDKitDeprotect.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/Conformer.cpp make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd 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Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompJSONParsers.cpp.o ../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../lib/libRDKitga.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2026.09.1 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 90%] Built target RGroupDecomposition make -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/DependInfo.cmake "--color=" rdGeneralizedSubstruct make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build make[4]: Entering directory 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/usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/SDMolSupplier.cpp [ 90%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 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/usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 90%] Built target rdGeneralizedSubstruct [ 90%] 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/SmilesMolSupplier.cpp [ 90%] Linking CXX executable testMolProcessing cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script 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/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/adapter.cpp:1646:44: warning: unused parameter ‘bitFlags’ [-Wunused-parameter] 1646 | unsigned int bitFlags) { | ~~~~~~~~~~~~~^~~~~~~~ [ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o -MF CMakeFiles/rdkit.dir/bfp_gist.c.o.d -o CMakeFiles/rdkit.dir/bfp_gist.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_gist.c [ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/Chirality.cpp [ 93%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK 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-I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o -MF CMakeFiles/rdkit.dir/bfp_gin.c.o.d -o CMakeFiles/rdkit.dir/bfp_gin.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_gin.c [ 93%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKITVER=\"007700\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2026.09.1\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o 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-DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2026.09.1\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/rxn_op.c [ 93%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/loongarch64-linux-gnu-gcc -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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-Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -std=gnu99 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/sfp_op.c [ 93%] Linking CXX shared library librdkit.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o -L/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/lib /usr/lib/loongarch64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2026.09.1 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolDraw2D.so.1.2026.09.1 ../../../lib/libRDKitMolHash.so.1.2026.09.1 ../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcairo.so /usr/lib/loongarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 -ldl /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit/sql cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit/data cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/PgSQL/rdkit/expected make[4]: Leaving directory 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-I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp [ 94%] Linking CXX executable testMrvToMol cd 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/usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 94%] Built target testMrvToMol [ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB 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-I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp make -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color=" tautomerQueryTestCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 94%] Building CXX object 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/catch_tests.cpp [ 94%] Linking CXX executable cxsmilesTest cd 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CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp [ 95%] Linking CXX shared module ../../../rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1 [ 96%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1 [ 96%] Linking CXX executable tautomerQueryTestCatch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 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/usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 96%] Built target tautomerQueryTestCatch [ 96%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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/usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 97%] Built target SubstructLibrary [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK 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-fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.cpp [ 97%] Linking CXX executable testRGroupDecompInternals cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time 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/usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceHitSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceHitSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceHitSet.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.cpp [ 97%] Linking CXX executable gaExample cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat 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-ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 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'/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color=" substructLibraryCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 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-Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/catch_tests.cpp make -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color=" rdSubstructLibrary make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp [ 99%] Linking CXX executable testRGroupDecomp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2026.09.1 ../../../lib/libRDKitga.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Built target testRGroupDecomp [ 99%] Linking CXX executable substructLibraryTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryTest.dir/link.d CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Built target substructLibraryTest [ 99%] Linking CXX executable substructLibraryCatchTest cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Built target substructLibraryCatchTest [ 99%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceShapeSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceHitSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonShapeInput.cpp.o CMakeFiles/SynthonSpaceSearch.dir/MemoryMappedFileReader.cpp.o ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Built target SynthonSpaceSearch make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/depend make -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceSubstructureSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceRascalSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceShapeSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceFingerprintSearch make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' cd /build/reproducible-path/rdkit-202609.1/build-python3.14 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14 /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color=" rdSynthonSpaceSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/build make -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/fingerprint_search_catch_tests.cpp [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o [100%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/shape_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/rascal_search_catch_tests.cpp cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/loongarch64-linux-gnu-g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_EXCEPTION_NO_LIB=1 -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DBOOST_THREAD_USE_DLL -DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_BUILD_XYZ2MOL_SUPPORT -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202609.1/External -I/build/reproducible-path/rdkit-202609.1/External/RingFamilies/RingDecomposerLib/src/RingDecomposerLib -I/build/reproducible-path/rdkit-202609.1/Code -I/build/reproducible-path/rdkit-202609.1/External/boost-numeric-bindings -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/lib/loongarch64-linux-gnu/python3-numpy/numpy/_core/include -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp [100%] Linking CXX executable testSynthonSpaceRascalSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceRascalSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceRascalSearch.dir/link.d CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o -o testSynthonSpaceRascalSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target testSynthonSpaceRascalSearch [100%] Linking CXX executable testSynthonSpaceFingerprintSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceFingerprintSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceFingerprintSearch.dir/link.d CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o -o testSynthonSpaceFingerprintSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target testSynthonSpaceFingerprintSearch [100%] Linking CXX executable testSynthonSpaceShapeSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceShapeSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-ld.bfd: CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o: in function `.LVL5988': ./build-python3.14/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/shape_search_catch_tests.cpp:169:(.text+0x46d0): warning: the use of `tmpnam' is dangerous, better use `mkstemp' /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceShapeSearch.dir/link.d CMakeFiles/testSynthonSpaceShapeSearch.dir/shape_search_catch_tests.cpp.o -o testSynthonSpaceShapeSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target testSynthonSpaceShapeSearch [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -o ../../../../rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o ../../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target rdSubstructLibrary [100%] Linking CXX executable testSynthonSpaceSubstructureSearch cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-ld.bfd: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `.LVL7026': ./build-python3.14/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp:416:(.text+0x75ac): warning: the use of `tmpnam' is dangerous, better use `mkstemp' /usr/bin/loongarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2026.09.1 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../lib/libRDKithc.so.1.2026.09.1 ../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 ../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target testSynthonSpaceSubstructureSearch [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so cd /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/loongarch64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-z,relro -Wl,-z,now -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 ../../../../lib/libRDKitRDBoost.so.1.2026.09.1 ../../../../lib/libRDKitRascalMCES.so.1.2026.09.1 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 ../../../../lib/libRDKitMolEnumerator.so.1.2026.09.1 ../../../../lib/libRDKitTautomerQuery.so.1.2026.09.1 ../../../../lib/libRDKitMolStandardize.so.1.2026.09.1 ../../../../lib/libRDKitChemReactions.so.1.2026.09.1 ../../../../lib/libRDKitFingerprints.so.1.2026.09.1 ../../../../lib/libRDKitFilterCatalog.so.1.2026.09.1 ../../../../lib/libRDKitCatalogs.so.1.2026.09.1 ../../../../lib/libRDKitDescriptors.so.1.2026.09.1 ../../../../lib/libRDKitSubgraphs.so.1.2026.09.1 ../../../../lib/libRDKitPartialCharges.so.1.2026.09.1 ../../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 ../../../../lib/libRDKitFileParsers.so.1.2026.09.1 ../../../../lib/libRDKitChemTransforms.so.1.2026.09.1 ../../../../lib/libRDKitDepictor.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/loongarch64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/loongarch64-linux-gnu/libz.so ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.09.1 ../../../../lib/libRDKitMolAlign.so.1.2026.09.1 ../../../../lib/libRDKitAlignment.so.1.2026.09.1 ../../../../lib/libRDKitDistGeometry.so.1.2026.09.1 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.09.1 ../../../../lib/libRDKitForceField.so.1.2026.09.1 ../../../../lib/libRDKitOptimizer.so.1.2026.09.1 ../../../../lib/libRDKitTrajectory.so.1.2026.09.1 ../../../../lib/libRDKitCIPLabeler.so.1.2026.09.1 ../../../../lib/libRDKitGaussianShape.so.1.2026.09.1 ../../../../lib/libRDKitSmilesParse.so.1.2026.09.1 ../../../../lib/libRDKitSubstructMatch.so.1.2026.09.1 ../../../../lib/libRDKitGenericGroups.so.1.2026.09.1 ../../../../lib/libRDKitSimDivPickers.so.1.2026.09.1 ../../../../lib/libRDKithc.so.1.2026.09.1 ../../../../lib/libRDKitMolTransforms.so.1.2026.09.1 ../../../../lib/libRDKitGraphMol.so.1.2026.09.1 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.09.1 ../../../../lib/libRDKitDataStructs.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libRingDecomposerLibStatic.a ../../../../lib/libRDKitEigenSolvers.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libpython3.14.so /usr/lib/loongarch64-linux-gnu/libboost_numpy314.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.09.1 /usr/lib/loongarch64-linux-gnu/libboost_serialization.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_thread.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_atomic.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_chrono.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_date_time.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_container.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_exception.a /usr/lib/loongarch64-linux-gnu/libboost_iostreams.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_random.so.1.92.0 /usr/lib/loongarch64-linux-gnu/libboost_regex.so.1.92.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' [100%] Built target rdSynthonSpaceSearch make[3]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202609.1/build-python3.14/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' for v in $(pg_buildext supported-versions); do \ (cd Code/PgSQL/rdkit/build-$v && make || $(cat ../../../../build-python3.14/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/link.txt | sed -e 's#\.\./\.\./#../../../../build-python3.14/Code/#g')); \ done make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18' /usr/bin/cmake -S/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit -B/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18/CMakeFiles /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18' cd /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18 /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18 /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18/CMakeFiles/rdkit.dir/DependInfo.cmake "--color=" rdkit make[4]: Leaving directory '/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/build-18' [ 7%] Building CXX object CMakeFiles/rdkit.dir/adapter.cpp.o /usr/bin/c++ -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu++20 -fPIC -MD -MT CMakeFiles/rdkit.dir/adapter.cpp.o -MF CMakeFiles/rdkit.dir/adapter.cpp.o.d -o CMakeFiles/rdkit.dir/adapter.cpp.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/adapter.cpp [ 14%] Building C object CMakeFiles/rdkit.dir/bfp_op.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_op.c [ 21%] Building C object CMakeFiles/rdkit.dir/cache.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/cache.c [ 28%] Building C object CMakeFiles/rdkit.dir/guc.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/guc.c.o -MF CMakeFiles/rdkit.dir/guc.c.o.d -o CMakeFiles/rdkit.dir/guc.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/guc.c [ 35%] Building C object CMakeFiles/rdkit.dir/low_gist.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/low_gist.c.o -MF CMakeFiles/rdkit.dir/low_gist.c.o.d -o CMakeFiles/rdkit.dir/low_gist.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/low_gist.c [ 42%] Building C object CMakeFiles/rdkit.dir/mol_op.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/mol_op.c.o -MF CMakeFiles/rdkit.dir/mol_op.c.o.d -o CMakeFiles/rdkit.dir/mol_op.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/mol_op.c [ 50%] Building C object CMakeFiles/rdkit.dir/rdkit_gist.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/rdkit_gist.c.o -MF CMakeFiles/rdkit.dir/rdkit_gist.c.o.d -o CMakeFiles/rdkit.dir/rdkit_gist.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/rdkit_gist.c [ 57%] Building C object CMakeFiles/rdkit.dir/bfp_gist.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/bfp_gist.c.o -MF CMakeFiles/rdkit.dir/bfp_gist.c.o.d -o CMakeFiles/rdkit.dir/bfp_gist.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_gist.c [ 64%] Building C object CMakeFiles/rdkit.dir/bfp_gin.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/bfp_gin.c.o -MF CMakeFiles/rdkit.dir/bfp_gin.c.o.d -o CMakeFiles/rdkit.dir/bfp_gin.c.o -c /build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/bfp_gin.c [ 71%] Building C object CMakeFiles/rdkit.dir/bitstring.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202609.1/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202609.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT CMakeFiles/rdkit.dir/bitstring.c.o -MF 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Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/PreprocessRxn.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/PreprocessRxn.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Reaction.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Reaction.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionPickler.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionPickler.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/SanitizeRxn.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/SanitizeRxn.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/ChemTransforms.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/ChemTransforms.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/MolFragmenter.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/MolFragmenter.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPLabeler.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPLabeler.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/CIPMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Configuration.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Configuration.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Descriptor.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Descriptor.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Digraph.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Digraph.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Edge.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Edge.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Mancude.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Mancude.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Node.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Node.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Priority.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Priority.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1a.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1a.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1b.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule1b.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule2.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule2.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule3.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule3.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4a.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4a.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4b.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4b.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4c.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule4c.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule5.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule5.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule5New.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule5New.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule6.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rule6.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rules.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/Rules.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/SequenceRule.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/rules/SequenceRule.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Sort.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Sort.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/TooManyNodesException.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/TooManyNodesException.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Conformer.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Conformer.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/DepictUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/DepictUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/EmbeddedFrag.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/EmbeddedFrag.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/RDDepictor.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/RDDepictor.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/Templates.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/Templates.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/TemplateSmarts.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/TemplateSmarts.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Deprotect/Deprotect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Deprotect/Deprotect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AtomFeat.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AtomFeat.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AUTOCORR2D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AUTOCORR2D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AUTOCORR3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/AUTOCORR3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/BCUT.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/BCUT.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/CoulombMat.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/CoulombMat.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Crippen.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Crippen.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/DCLV.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/DCLV.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/DCLV_dots.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/DCLV_dots.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/EEM.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/EEM.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/GETAWAY.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/GETAWAY.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Lipinski.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Lipinski.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolDescriptors.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolDescriptors3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolDescriptors3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolSurf.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MolSurf.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MORSE.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MORSE.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MQN.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/MQN.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/OxidationNumbers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/OxidationNumbers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/PBF.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/PBF.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/PMI.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/PMI.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Property.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Property.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/RDF.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/RDF.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/RegisterDescriptor.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/RegisterDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/USRDescriptor.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/USRDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/WHIM.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/WHIM.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/details.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/details.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/DetermineBonds.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/DetermineBonds.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilderDetails.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilderDetails.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Embedder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Embedder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/ZMatrixBuilder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/ZMatrixBuilder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Flippers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Flippers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParsers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParsers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParserUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParserUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/GeneralFileReader.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/GeneralFileReader.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MaestroProperties.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MaestroProperties.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolFileStereochem.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolFileStereochem.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSGroupParsing.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSGroupParsing.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSGroupWriting.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSGroupWriting.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolWriters.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolWriters.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/PNGParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/PNGParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/ProximityBonds.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/ProximityBonds.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceParsers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceParsers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceWriters.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceWriters.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterCatalog.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterCatalog.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/Filters.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/Filters.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintUtil.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintUtil.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MACCS.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MACCS.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MHFP.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MHFP.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganFingerprints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Composition2N.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Composition2N.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/DebugTrace.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/DebugTrace.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/FMCS.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/FMCS.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Graph.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Graph.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/MatchTable.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/MatchTable.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Seed.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Seed.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SeedSet.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SeedSet.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SubstructMatchCustom.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SubstructMatchCustom.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SubstructureCache.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/SubstructureCache.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Target.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Target.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/TargetMatch.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/TargetMatch.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/GaussianTorsionAngleContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/GaussianTorsionAngleContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4_macrocycles.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4_macrocycles.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4_smallrings.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionData/gaussTorsionPreferences_v4_smallrings.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragCatParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/FragFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/GaussianShape.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/GaussianShape.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeInput.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeInput.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/SingleConformerAlignment.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/SingleConformerAlignment.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GenericGroups/GenericGroups.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GenericGroups/GenericGroups.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GraphMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GraphMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroAtomInfo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroAtomInfo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroBondInfo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroBondInfo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroMolTemplate.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MacroMolTemplate.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinDefs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinDefs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/AlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/AlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolBundle.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolBundle.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalog.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalog.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/MolCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/AtomSymbol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/AtomSymbol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawShape.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawShape.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawText.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawText.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Cod/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:233: warning: unbalanced grouping commands /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:514: warning: unbalanced grouping commands /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:805: warning: unbalanced grouping commands e/GraphMol/MolDraw2D/DrawTextCairo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFT.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFT.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextJS.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextJS.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DSGroupData.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DSGroupData.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/StringRect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/StringRect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/LinkNode.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/LinkNode.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/mf.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/mf.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/MolHash.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/MolHash.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/nmmolhash.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/nmmolhash.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/details.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/details.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/MolInterchange.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/MolInterchange.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolPickler.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolPickler.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProcessing/MolProcessing.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProcessing/MolProcessing.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Charge.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Charge.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Fragment.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Fragment.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Metal.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Metal.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/MolStandardize.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/MolStandardize.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Normalize.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Normalize.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Pipeline.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Pipeline.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Validate.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Validate.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms/MolTransforms.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms/MolTransforms.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MonomerInfo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MonomerInfo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/new_canon.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/new_canon.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerCharges.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerCharges.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/GasteigerParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PeriodicTable.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/PeriodicTable.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryAtom.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryAtom.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryBond.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryBond.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/PartitionSet.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/PartitionSet.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalDetails.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalDetails.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalMCES.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalMCES.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalOptions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalOptions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalResult.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/RascalResult.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RDKitBase.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RDKitBase.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RDKitQueries.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RDKitQueries.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupData.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupData.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Parsing file /build/reproducible-pa/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ROMol.h:613: warning: unbalanced grouping commands th/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RingInfo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RingInfo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Rings.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Rings.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ROMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ROMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RWMol.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RWMol.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SanitException.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SanitException.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/detail.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/detail.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNAttribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNAttribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNParse.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNParse.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNParseOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/SLNParseOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmartsWrite.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmartsWrite.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesJSONParsers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesJSONParsers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParse.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParse.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParseOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesParseOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StereoGroup.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StereoGroup.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Pattern.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Pattern.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/ReCharge.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/ReCharge.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Stereo.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Stereo.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StripSmallFragments.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StripSmallFragments.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StructChecker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StructChecker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StructCheckerOptions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/StructCheckerOptions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Utilites.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/StructChecker/Utilites.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/Subgraphs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/Subgraphs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/SubgraphUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subgraphs/SubgraphUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subset.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Subset.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstanceGroup.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstanceGroup.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructDetails.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructDetails.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/PatternFactory.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/PatternFactory.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/ProgressBar.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/ProgressBar.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SearchResults.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SearchResults.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Synthon.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Synthon.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSet.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSet.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonShapeInput.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonShapeInput.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearchHelpers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearchHelpers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/TautomerQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/TautomerQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Trajectory/Snapshot.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Trajectory/Snapshot.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Trajectory/Trajectory.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Trajectory/Trajectory.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Catalogs/Catalog.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Catalogs/Catalog.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogParams.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Catalogs/CatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/base64.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/base64.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVects.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVects.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVectUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/BitVectUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DatastructsException.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DatastructsException.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DatastructsStreamOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DatastructsStreamOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DiscreteDistMat.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DiscreteDistMat.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DiscreteValueVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/DiscreteValueVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/ExplicitBitVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/ExplicitBitVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/FPBReader.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/FPBReader.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/MultiFPBReader.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/MultiFPBReader.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/RealValueVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/RealValueVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/SparseBitVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/SparseBitVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataStructs/SparseIntVect.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataStructs/SparseIntVect.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/AndQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/AndQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/EqualityQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/EqualityQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/GreaterEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/GreaterEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/GreaterQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/GreaterQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/LessEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/LessEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/LessQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/LessQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/NullQueryAlgebra.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/NullQueryAlgebra.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/OrQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/OrQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/Query.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/Query.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/QueryObjects.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/QueryObjects.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/RangeQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/RangeQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/SetQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/SetQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Query/XOrQuery.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Query/XOrQuery.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/CorrMatGenerator.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/CorrMatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/InfoBitRanker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/InfoBitRanker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/InfoGainFuncs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/InfoGainFuncs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/DistPicker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/DistPicker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/HierarchicalClusterPicker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/HierarchicalClusterPicker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BadFileException.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BadFileException.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BetterEnums.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BetterEnums.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BoostEndInclude.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BoostEndInclude.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BoostStartInclude.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/BoostStartInclude.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/ConcurrentQueue.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/ConcurrentQueue.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/ControlCHandler.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/ControlCHandler.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Dict.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Dict.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/enum.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/enum.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Exceptions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Exceptions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/export.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/export.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/FileParseException.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/FileParseException.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/hanoiSort.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/hanoiSort.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Invariant.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Invariant.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/JSONHelpers.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/JSONHelpers.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/LocaleSwitcher.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/LocaleSwitcher.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Ranking.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/Ranking.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDAny.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDConfig.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDConfig.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDExportMacros.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDExportMacros.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDLog.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDLog.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDProps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDProps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDThreads.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDThreads.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-doublemagic.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-doublemagic.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue-taggedunion.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/RDValue.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/StreamOps.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/StreamOps.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/types.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/utils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/utils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/versions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDGeneral/versions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/boost_numpy.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/boost_numpy.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/boost_shared_ptr.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/boost_shared_ptr.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/import_array.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/import_array.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/pyint_api.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/pyint_api.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/PySequenceHolder.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/PySequenceHolder.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_capsule_nb.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_capsule_nb.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_streambuf.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_streambuf.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_streambuf_nb.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/RDBoost/python_streambuf_nb.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/BoundsMatrix.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/BoundsMatrix.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralSet.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralSet.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/FourthDimContribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/FourthDimContribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/TriangleSmooth.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/TriangleSmooth.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ZMatrix.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ZMatrix.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ZMatrixUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ZMatrixUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/Contrib.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/Contrib.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/FiniteDifference.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/FiniteDifference.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/OopBend.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/OopBend.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Params.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/StretchBend.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/StretchBend.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversion.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversion.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversions.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversions.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Params.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Utils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Utils.h... Preprocessing/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/DCLV.h:67: warning: documented symbol 'uses default vdw RDKit::Descriptors::DoubleCubicLatticeVolume::radii' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:88: warning: documented symbol 'for experimental torsion angle RDKit::DGeomHelpers::preferences' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h:23: warning: documented symbol 'enum RDKIT_GAUSSIANSHAPE_EXPORT RDKit::GaussianShape::StartMode' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h:40: warning: documented symbol 'enum RDKIT_GAUSSIANSHAPE_EXPORT RDKit::GaussianShape::OptimMode' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:1299: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:1315: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Pipeline.h:90: warning: documented symbol 'enum RDKIT_MOLSTANDARDIZE_EXPORT RDKit::MolStandardize::PipelineStatus' was not declared or defined. /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryOps.h:571: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/QueryOps.h:562: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202609.1/Code/Numerics/Alignment/AlignPoints.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Alignment/AlignPoints.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/Conrec.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Conrec.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/Matrix.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Matrix.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/Optimizer/BFGSOpt.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Optimizer/BFGSOpt.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/Optimizer/BFGSOpt_SVE.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Optimizer/BFGSOpt_SVE.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/SquareMatrix.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/SquareMatrix.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/SymmMatrix.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/SymmMatrix.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Numerics/Vector.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Numerics/Vector.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/Grid3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/Grid3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/GridUtils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/GridUtils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/point.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/point.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform2D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform2D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/Transform3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/UniformGrid3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/UniformGrid3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/UniformRealValueGrid3D.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/UniformRealValueGrid3D.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Geometry/Utils.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Geometry/Utils.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/Features/Feature.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/Features/Feature.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/ChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/ChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/FreeChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/FreeChemicalFeature.h... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Warn for undocumented namespaces... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Building requirements list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Adding requirements... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file Catalog.h... Generating code for file CatalogEntry.h... Generating code for file CatalogParams.h... Generating code for file ChemicalFeature.h... Generating code for file FreeChemicalFeature.h... Generating code for file MetricFuncs.h... Generating code for file MetricMatrixCalc.h... Generating code for file base64.h... Generating code for file BitOps.h... Generating code for file BitVect.h... Generating code for file BitVects.h... Generating code for file BitVectUtils.h... Generating code for file DatastructsException.h... Generating code for file DatastructsStreamOps.h... Generating code for file DiscreteDistMat.h... Generating code for file DiscreteValueVect.h... Generating code for file ExplicitBitVect.h... Generating code for file FPBReader.h... Generating code for file MultiFPBReader.h... Generating code for file RealValueVect.h... Generating code for file SparseBitVect.h... Generating code for file SparseIntVect.h... Generating code for file BoundsMatrix.h... Generating code for file ChiralSet.h... Generating code for file ChiralViolationContribs.h... Generating code for file DistGeomUtils.h... Generating code for file DistViolationContribs.h... Generating code for file FourthDimContribs.h... Generating code for file TriangleSmooth.h... Generating code for file ZMatrix.h... Generating code for file ZMatrixUtils.h... Generating code for file Feature.h... Generating code for file AngleConstraints.h... Generating code for file Contrib.h... Generating code for file DistanceConstraints.h... Generating code for file FiniteDifference.h... Generating code for file ForceField.h... Generating code for file AngleBend.h... Generating code for file AngleBend.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file BondStretch.h... Generating code for file BondStretch.h... Generating code for file Contribs.h... Generating code for file Contribs.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file Nonbonded.h... Generating code for file Nonbonded.h... Generating code for file OopBend.h... Generating code for file Params.h... Generating code for file Params.h... Generating code for file PositionConstraint.h... Generating code for file PositionConstraint.h... Generating code for file PositionConstraint.h... Generating code for file StretchBend.h... Generating code for file TorsionAngle.h... Generating code for file TorsionAngle.h... Generating code for file TorsionConstraint.h... Generating code for file TorsionConstraint.h... Generating code for file TorsionConstraint.h... Generating code for file Inversion.h... Generating code for file Inversions.h... Generating code for file Utils.h... Generating code for file Utils.h... Generating code for file Grid3D.h... Generating code for file GridUtils.h... Generating code for file point.h... Generating code for file Transform.h... Generating code for file Transform2D.h... Generating code for file Transform3D.h... Generating code for file UniformGrid3D.h... Generating code for file UniformRealValueGrid3D.h... Generating code for file Abbreviations.h... Generating code for file Atom.h... Generating code for file atomic_data.h... Generating code for file AtomIterators.h... Generating code for file Atropisomers.h... Generating code for file Bond.h... Generating code for file BondIterators.h... Generating code for file Canon.h... Generating code for file CartesianProduct.h... Generating code for file Enumerate.h... Generating code for file EnumerateBase.h... Generating code for file EnumerateTypes.h... Generating code for file EnumerationPickler.h... Generating code for file EnumerationStrategyBase.h... Generating code for file EvenSamplePairs.h... Generating code for file RandomSample.h... Generating code for file RandomSampleAllBBs.h... Generating code for file PreprocessRxn.h... Generating code for file Reaction.h... Generating code for file ReactionFingerprints.h... Generating code for file ReactionParser.h... Generating code for file ReactionPickler.h... Generating code for file ReactionRunner.h... Generating code for file ReactionUtils.h... Generating code for file SanitizeRxn.h... Generating code for file ChemTransforms.h... Generating code for file MolFragmenter.h... Generating code for file MolFragmenterJSONParser.h... Generating code for file Chirality.h... Generating code for file CIPLabeler.h... Generating code for file CIPMol.h... Generating code for file AtropisomerBond.h... Generating code for file Configuration.h... Generating code for file Sp2Bond.h... Generating code for file Tetrahedral.h... Generating code for file Descriptor.h... Generating code for file Digraph.h... Generating code for file Edge.h... Generating code for file Mancude.h... Generating code for file Node.h... Generating code for file Priority.h... Generating code for file Pairlist.h... Generating code for file Rule1a.h... Generating code for file Rule1b.h... Generating code for file Rule2.h... Generating code for file Rule3.h... Generating code for file Rule4a.h... Generating code for file Rule4b.h... Generating code for file Rule4c.h... Generating code for file Rule5.h... Generating code for file Rule5New.h... Generating code for file Rule6.h... Generating code for file Rules.h... Generating code for file SequenceRule.h... Generating code for file Sort.h... Generating code for file TooManyNodesException.h... Generating code for file Conformer.h... Generating code for file DepictUtils.h... Generating code for file EmbeddedFrag.h... Generating code for file RDDepictor.h... Generating code for file Templates.h... Generating code for file TemplateSmarts.h... Generating code for file Deprotect.h... Generating code for file AtomFeat.h... Generating code for file AUTOCORR2D.h... Generating code for file AUTOCORR3D.h... Generating code for file BCUT.h... Generating code for file ConnectivityDescriptors.h... Generating code for file CoulombMat.h... Generating code for file Crippen.h... Generating code for file Data3Ddescriptors.h... Generating code for file DCLV.h... Generating code for file DCLV_dots.h... Generating code for file EEM.h... Generating code for file GETAWAY.h... Generating code for file Lipinski.h... Generating code for file MolData3Ddescriptors.h... Generating code for file MolDescriptors.h... Generating code for file MolDescriptors3D.h... Generating code for file MolSurf.h... Generating code for file MORSE.h... Generating code for file MQN.h... Generating code for file OxidationNumbers.h... Generating code for file PBF.h... Generating code for file PMI.h... Generating code for file Property.h... Generating code for file RDF.h... Generating code for file RegisterDescriptor.h... Generating code for file USRDescriptor.h... Generating code for file WHIM.h... Generating code for file DetermineBonds.h... Generating code for file BoundsMatrixBuilder.h... Generating code for file BoundsMatrixBuilderDetails.h... Generating code for file Embedder.h... Generating code for file ZMatrixBuilder.h... Generating code for file EnumerateStereoisomers.h... Generating code for file Flippers.h... Generating code for file CDXMLParser.h... Generating code for file FileParsers.h... Generating code for file FileParserUtils.h... Generating code for file FileWriters.h... Generating code for file GeneralFileReader.h... Generating code for file MaestroProperties.h... Generating code for file MolFileStereochem.h... Generating code for file MolSGroupParsing.h... Generating code for file MolSGroupWriting.h... Generating code for file MolSupplier.h... Generating code for file MolSupplier.v1API.h... Generating code for file MolWriters.h... Generating code for file MultithreadedMolSupplier.h... Generating code for file MultithreadedSDMolSupplier.h... Generating code for file MultithreadedSmilesMolSupplier.h... Generating code for file PNGParser.h... Generating code for file ProximityBonds.h... Generating code for file SequenceParsers.h... Generating code for file SequenceWriters.h... Generating code for file FilterCatalog.h... Generating code for file FilterCatalogEntry.h... Generating code for file FilterMatcherBase.h... Generating code for file FilterMatchers.h... Generating code for file Filters.h... Generating code for file FunctionalGroupHierarchy.h... Generating code for file AtomPairGenerator.h... Generating code for file AtomPairs.h... Generating code for file FingerprintGenerator.h... Generating code for file Fingerprints.h... Generating code for file FingerprintUtil.h... Generating code for file MACCS.h... Generating code for file MHFP.h... Generating code for file MorganFingerprints.h... Generating code for file MorganGenerator.h... Generating code for file RDKitFPGenerator.h... Generating code for file TopologicalTorsionGenerator.h... Generating code for file Composition2N.h... Generating code for file DebugTrace.h... Generating code for file DuplicatedSeedCache.h... Generating code for file FMCS.h... Generating code for file Graph.h... Generating code for file MatchTable.h... Generating code for file MaximumCommonSubgraph.h... Generating code for file Seed.h... Generating code for file SeedSet.h... Generating code for file SubstructMatchCustom.h... Generating code for file SubstructureCache.h... Generating code for file Target.h... Generating code for file TargetMatch.h... Generating code for file GaussianTorsionAngleContribs.h... Generating code for file PlanarityContribs.h... Generating code for file TorsionAngleContribs.h... Generating code for file TorsionAngleM6.h... Generating code for file gaussTorsionPreferences_v4.h... Generating code for file gaussTorsionPreferences_v4_macrocycles.h... Generating code for file gaussTorsionPreferences_v4_smallrings.h... Generating code for file TorsionPreferences.h... Generating code for file FFConvenience.h... Generating code for file AtomTyper.h... Generating code for file AtomTyper.h... Generating code for file Builder.h... Generating code for file Builder.h... Generating code for file MMFF.h... Generating code for file UFF.h... Generating code for file FragCatalogEntry.h... Generating code for file FragCatalogUtils.h... Generating code for file FragCatGenerator.h... Generating code for file FragCatParams.h... Generating code for file FragFPGenerator.h... Generating code for file GaussianShape.h... Generating code for file ShapeInput.h... Generating code for file ShapeOverlayOptions.h... Generating code for file SingleConformerAlignment.h... Generating code for file XQMol.h... Generating code for file GenericGroups.h... Generating code for file GraphMol.h... Generating code for file MacroAtomInfo.h... Generating code for file MacroBondInfo.h... Generating code for file MacroMol.h... Generating code for file MacroMolTemplate.h... Generating code for file MarvinDefs.h... Generating code for file MarvinParser.h... Generating code for file MMPA.h... Generating code for file AlignMolecules.h... Generating code for file O3AAlignMolecules.h... Generating code for file MolBundle.h... Generating code for file MolCatalog.h... Generating code for file MolCatalogEntry.h... Generating code for file MolCatalogParams.h... Generating code for file FeatureParser.h... Generating code for file MolChemicalFeature.h... Generating code for file MolChemicalFeatureDef.h... Generating code for file MolChemicalFeatureFactory.h... Generating code for file AtomSymbol.h... Generating code for file DrawAnnotation.h... Generating code for file DrawMol.h... Generating code for file DrawMolMCH.h... Generating code for file DrawMolMCHCircleAndLine.h... Generating code for file DrawMolMCHLasso.h... Generating code for file DrawShape.h... Generating code for file DrawText.h... Generating code for file DrawTextCairo.h... Generating code for file DrawTextFT.h... Generating code for file DrawTextFTCairo.h... Generating code for file DrawTextFTJS.h... Generating code for file DrawTextFTSVG.h... Generating code for file DrawTextJS.h... Generating code for file DrawTextNotFT.h... Generating code for file DrawTextSVG.h... Generating code for file roboto_regular.h... Generating code for file telex_regular.h... Generating code for file MolDraw2D.h... Generating code for file MolDraw2DCairo.h... Generating code for file MolDraw2DDetails.h... Generating code for file MolDraw2DHelpers.h... Generating code for file MolDraw2DJS.h... Generating code for file MolDraw2DSGroupData.h... Generating code for file MolDraw2DSVG.h... Generating code for file MolDraw2DUtils.h... Generating code for file MolDraw2Dwx.h... Generating code for file DrawTextFTQt.h... Generating code for file DrawTextQt.h... Generating code for file MolDraw2DQt.h... Generating code for file StringRect.h... Generating code for file LinkNode.h... Generating code for file MolEnumerator.h... Generating code for file mf.h... Generating code for file MolHash.h... Generating code for file nmmolhash.h... Generating code for file MIFDescriptors.h... Generating code for file details.h... Generating code for file details.h... Generating code for file MolInterchange.h... Generating code for file MolOps.h... Generating code for file MolPickler.h... Generating code for file MolProcessing.h... Generating code for file AcidBaseCatalogEntry.h... Generating code for file AcidBaseCatalogParams.h... Generating code for file AcidBaseCatalogUtils.h... Generating code for file Charge.h... Generating code for file Fragment.h... Generating code for file FragmentCatalogEntry.h... Generating code for file FragmentCatalogParams.h... Generating code for file FragmentCatalogUtils.h... Generating code for file Metal.h... Generating code for file MolStandardize.h... Generating code for file Normalize.h... Generating code for file Pipeline.h... Generating code for file TautomerCatalogEntry.h... Generating code for file TautomerCatalogParams.h... Generating code for file TautomerCatalogUtils.h... Generating code for file TransformCatalogEntry.h... Generating code for file TransformCatalogParams.h... Generating code for file TransformCatalogUtils.h... Generating code for file Validate.h... Generating code for file MolTransforms.h... Generating code for file MonomerInfo.h... Generating code for file new_canon.h... Generating code for file GasteigerCharges.h... Generating code for file GasteigerParams.h... Generating code for file PeriodicTable.h... Generating code for file QueryAtom.h... Generating code for file QueryBond.h... Generating code for file QueryOps.h... Generating code for file PartitionSet.h... Generating code for file RascalClusterOptions.h... Generating code for file RascalDetails.h... Generating code for file RascalMCES.h... Generating code for file RascalOptions.h... Generating code for file RascalResult.h... Generating code for file RDKitBase.h... Generating code for file RDKitQueries.h... Generating code for file ReducedGraphs.h... Generating code for file Resonance.h... Generating code for file RGroupCore.h... Generating code for file RGroupData.h... Generating code for file RGroupDecomp.h... Generating code for file RGroupDecompData.h... Generating code for file RGroupDecompJSONParsers.h... Generating code for file RGroupDecompParams.h... Generating code for file RGroupFingerprintScore.h... Generating code for file RGroupGa.h... Generating code for file RGroupMatch.h... Generating code for file RGroupScore.h... Generating code for file RGroupUtils.h... Generating code for file RingInfo.h... Generating code for file Rings.h... Generating code for file ROMol.h... Generating code for file RWMol.h... Generating code for file SanitException.h... Generating code for file detail.h... Generating code for file ScaffoldNetwork.h... Generating code for file ShapeEncoder.h... Generating code for file ShapeUtils.h... Generating code for file SLNAttribs.h... Generating code for file SLNParse.h... Generating code for file SLNParseOps.h... Generating code for file CanonicalizeStereoGroups.h... Generating code for file SmartsWrite.h... Generating code for file SmilesJSONParsers.h... Generating code for file SmilesParse.h... Generating code for file SmilesParseOps.h... Generating code for file SmilesWrite.h... Generating code for file StereoGroup.h... Generating code for file Pattern.h... Generating code for file ReCharge.h... Generating code for file Stereo.h... Generating code for file StripSmallFragments.h... Generating code for file StructChecker.h... Generating code for file StructCheckerOptions.h... Generating code for file Tautomer.h... Generating code for file Tautomer.h... Generating code for file Utilites.h... Generating code for file Subgraphs.h... Generating code for file SubgraphUtils.h... Generating code for file Subset.h... Generating code for file SubstanceGroup.h... Generating code for file SubstructDetails.h... Generating code for file SubstructMatch.h... Generating code for file SubstructUtils.h... Generating code for file PatternFactory.h... Generating code for file SubstructLibrary.h... Generating code for file SubstructLibrarySerialization.h... Generating code for file MemoryMappedFileReader.h... Generating code for file ProgressBar.h... Generating code for file SearchResults.h... Generating code for file Synthon.h... Generating code for file SynthonSet.h... Generating code for file SynthonShapeInput.h... Generating code for file SynthonSpace.h... Generating code for file SynthonSpaceFingerprintSearcher.h... Generating code for file SynthonSpaceHitSet.h... Generating code for file SynthonSpaceRascalSearcher.h... Generating code for file SynthonSpaceSearch_details.h... Generating code for file SynthonSpaceSearcher.h... Generating code for file SynthonSpaceSearchHelpers.h... Generating code for file SynthonSpaceShapeSearcher.h... Generating code for file SynthonSpaceSubstructureSearcher.h... Generating code for file TautomerQuery.h... Generating code for file Snapshot.h... Generating code for file Trajectory.h... Generating code for file CorrMatGenerator.h... Generating code for file InfoBitRanker.h... Generating code for file InfoGainFuncs.h... Generating code for file AlignPoints.h... Generating code for file Conrec.h... Generating code for file PowerEigenSolver.h... Generating code for file Matrix.h... Generating code for file BFGSOpt.h... Generating code for file BFGSOpt_SVE.h... Generating code for file SquareMatrix.h... Generating code for file SymmMatrix.h... Generating code for file Vector.h... Generating code for file AndQuery.h... Generating code for file EqualityQuery.h... Generating code for file GreaterEqualQuery.h... Generating code for file GreaterQuery.h... Generating code for file LessEqualQuery.h... Generating code for file LessQuery.h... Generating code for file NullQueryAlgebra.h... Generating code for file OrQuery.h... Generating code for file Query.h... Generating code for file QueryObjects.h... Generating code for file RangeQuery.h... Generating code for file SetQuery.h... Generating code for file XOrQuery.h... Generating code for file boost_numpy.h... Generating code for file boost_shared_ptr.h... Generating code for file import_array.h... Generating code for file pyint_api.h... Generating code for file PySequenceHolder.h... Generating code for file python.h... Generating code for file python_capsule_nb.h... Generating code for file python_streambuf.h... Generating code for file python_streambuf_nb.h... Generating code for file BadFileException.h... Generating code for file BetterEnums.h... Generating code for file BoostEndInclude.h... Generating code for file BoostStartInclude.h... Generating code for file ConcurrentQueue.h... Generating code for file ControlCHandler.h... Generating code for file Dict.h... Generating code for file enum.h... Generating code for file Exceptions.h... Generating code for file export.h... Generating code for file FileParseException.h... Generating code for file hanoiSort.h... Generating code for file Invariant.h... Generating code for file JSONHelpers.h... Generating code for file LocaleSwitcher.h... Generating code for file Ranking.h... Generating code for file RDAny.h... Generating code for file RDConfig.h... Generating code for file RDExportMacros.h... Generating code for file RDLog.h... Generating code for file RDProps.h... Generating code for file RDThreads.h... Generating code for file RDValue-doublemagic.h... Generating code for file RDValue-taggedunion.h... Generating code for file RDValue.h... Generating code for file StreamOps.h... Generating code for file types.h... Generating code for file utils.h... Generating code for file versions.h... Generating code for file DistPicker.h... Generating code for file HierarchicalClusterPicker.h... Generating code for file LeaderPicker.h... Generating code for file MaxMinPicker.h... Generating file documentation... Generating docs for file Catalog.h... Generating docs for file CatalogEntry.h... Generating docs for file CatalogParams.h... Generating docs for file ChemicalFeature.h... Generating docs for file FreeChemicalFeature.h... Generating docs for file MetricFuncs.h... Generating docs for file MetricMatrixCalc.h... Generating docs for file base64.h... Generating docs for file BitOps.h... Generating docs for file BitVect.h... Generating docs for file BitVects.h... Generating docs for file BitVectUtils.h... Generating docs for file DatastructsException.h... Generating docs for file DatastructsStreamOps.h... Generating docs for file DiscreteDistMat.h... Generating docs for file DiscreteValueVect.h... Generating docs for file ExplicitBitVect.h... Generating docs for file FPBReader.h... Generating docs for file MultiFPBReader.h... Generating docs for file RealValueVect.h... Generating docs for file SparseBitVect.h... Generating docs for file SparseIntVect.h... Generating docs for file BoundsMatrix.h... Generating docs for file ChiralSet.h... Generating docs for file ChiralViolationContribs.h... Generating docs for file DistGeomUtils.h... Generating docs for file DistViolationContribs.h... Generating docs for file FourthDimContribs.h... Generating docs for file TriangleSmooth.h... Generating docs for file ZMatrix.h... Generating docs for file ZMatrixUtils.h... Generating docs for file Feature.h... Generating docs for file AngleConstraints.h... Generating docs for file Contrib.h... Generating docs for file DistanceConstraints.h... Generating docs for file FiniteDifference.h... Generating docs for file ForceField.h... Generating docs for file AngleBend.h... Generating docs for file AngleBend.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file BondStretch.h... Generating docs for file BondStretch.h... Generating docs for file Contribs.h... Generating docs for file Contribs.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file Nonbonded.h... Generating docs for file Nonbonded.h... Generating docs for file OopBend.h... Generating docs for file Params.h... Generating docs for file Params.h... Generating docs for file PositionConstraint.h... Generating docs for file PositionConstraint.h... Generating docs for file PositionConstraint.h... Generating docs for file StretchBend.h... Generating docs for file TorsionAngle.h... Generating docs for file TorsionAngle.h... Generating docs for file TorsionConstraint.h... Generating docs for file TorsionConstraint.h... Generating docs for file TorsionConstraint.h... Generating docs for file Inversion.h... Generating docs for file Inversions.h... Generating docs for file Utils.h... Generating docs for file Utils.h... Generating docs for file Grid3D.h... Generating docs for file GridUtils.h... Generating docs for file point.h... Generating docs for file Transform.h... Generating docs for file Transform2D.h... Generating docs for file Transform3D.h... Generating docs for file UniformGrid3D.h... Generating docs for file UniformRealValueGrid3D.h... Generating docs for file Abbreviations.h... Generating docs for file Atom.h... Generating docs for file atomic_data.h... Generating docs for file AtomIterators.h... Generating docs for file Atropisomers.h... Generating docs for file Bond.h... Generating docs for file BondIterators.h... Generating docs for file Canon.h... Generating docs for file CartesianProduct.h... Generating docs for file Enumerate.h... Generating docs for file EnumerateBase.h... Generating docs for file EnumerateTypes.h... Generating docs for file EnumerationPickler.h... Generating docs for file EnumerationStrategyBase.h... Generating docs for file EvenSamplePairs.h... Generating docs for file RandomSample.h... Generating docs for file RandomSampleAllBBs.h... Generating docs for file PreprocessRxn.h... Generating docs for file Reaction.h... Generating docs for file ReactionFingerprints.h... Generating docs for file ReactionParser.h... Generating docs for file ReactionPickler.h... Generating docs for file ReactionRunner.h... Generating docs for file ReactionUtils.h... Generating docs for file SanitizeRxn.h... Generating docs for file ChemTransforms.h... Generating docs for file MolFragmenter.h... Generating docs for file MolFragmenterJSONParser.h... Generating docs for file Chirality.h... Generating docs for file CIPLabeler.h... Generating docs for file CIPMol.h... Generating docs for file AtropisomerBond.h... Generating docs for file Configuration.h... Generating docs for file Sp2Bond.h... Generating docs for file Tetrahedral.h... Generating docs for file Descriptor.h... Generating docs for file Digraph.h... Generating docs for file Edge.h... Generating docs for file Mancude.h... Generating docs for file Node.h... Generating docs for file Priority.h... Generating docs for file Pairlist.h... Generating docs for file Rule1a.h... Generating docs for file Rule1b.h... Generating docs for file Rule2.h... Generating docs for file Rule3.h... Generating docs for file Rule4a.h... Generating docs for file Rule4b.h... Generating docs for file Rule4c.h... Generating docs for file Rule5.h... Generating docs for file Rule5New.h... Generating docs for file Rule6.h... Generating docs for file Rules.h... Generating docs for file SequenceRule.h... Generating docs for file Sort.h... Generating docs for file TooManyNodesException.h... Generating docs for file Conformer.h... Generating docs for file DepictUtils.h... Generating docs for file EmbeddedFrag.h... Generating docs for file RDDepictor.h... Generating docs for file Templates.h... Generating docs for file TemplateSmarts.h... Generating docs for file Deprotect.h... Generating docs for file AtomFeat.h... Generating docs for file AUTOCORR2D.h... Generating docs for file AUTOCORR3D.h... Generating docs for file BCUT.h... Generating docs for file ConnectivityDescriptors.h... Generating docs for file CoulombMat.h... Generating docs for file Crippen.h... Generating docs for file Data3Ddescriptors.h... Generating docs for file DCLV.h... Generating docs for file DCLV_dots.h... Generating docs for file EEM.h... Generating docs for file GETAWAY.h... Generating docs for file Lipinski.h... Generating docs for file MolData3Ddescriptors.h... Generating docs for file MolDescriptors.h... Generating docs for file MolDescriptors3D.h... Generating docs for file MolSurf.h... Generating docs for file MORSE.h... Generating docs for file MQN.h... Generating docs for file OxidationNumbers.h... Generating docs for file PBF.h... Generating docs for file PMI.h... Generating docs for file Property.h... Generating docs for file RDF.h... Generating docs for file RegisterDescriptor.h... Generating docs for file USRDescriptor.h... Generating docs for file WHIM.h... Generating docs for file DetermineBonds.h... Generating docs for file BoundsMatrixBuilder.h... Generating docs for file BoundsMatrixBuilderDetails.h... Generating docs for file Embedder.h... Generating docs for file ZMatrixBuilder.h... Generating docs for file EnumerateStereoisomers.h... Generating docs for file Flippers.h... Generating docs for file CDXMLParser.h... Generating docs for file FileParsers.h... Generating docs for file FileParserUtils.h... Generating docs for file FileWriters.h... Generating docs for file GeneralFileReader.h... Generating docs for file MaestroProperties.h... Generating docs for file MolFileStereochem.h... Generating docs for file MolSGroupParsing.h... Generating docs for file MolSGroupWriting.h... Generating docs for file MolSupplier.h... Generating docs for file MolSupplier.v1API.h... Generating docs for file MolWriters.h... Generating docs for file MultithreadedMolSupplier.h... Generating docs for file MultithreadedSDMolSupplier.h... Generating docs for file MultithreadedSmilesMolSupplier.h... Generating docs for file PNGParser.h... Generating docs for file ProximityBonds.h... Generating docs for file SequenceParsers.h... Generating docs for file SequenceWriters.h... Generating docs for file FilterCatalog.h... Generating docs for file FilterCatalogEntry.h... Generating docs for file FilterMatcherBase.h... Generating docs for file FilterMatchers.h... Generating docs for file Filters.h... Generating docs for file FunctionalGroupHierarchy.h... Generating docs for file AtomPairGenerator.h... Generating docs for file AtomPairs.h... Generating docs for file FingerprintGenerator.h... Generating docs for file Fingerprints.h... Generating docs for file FingerprintUtil.h... Generating docs for file MACCS.h... Generating docs for file MHFP.h... Generating docs for file MorganFingerprints.h... Generating docs for file MorganGenerator.h... Generating docs for file RDKitFPGenerator.h... Generating docs for file TopologicalTorsionGenerator.h... Generating docs for file Composition2N.h... Generating docs for file DebugTrace.h... Generating docs for file DuplicatedSeedCache.h... Generating docs for file FMCS.h... Generating docs for file Graph.h... Generating docs for file MatchTable.h... Generating docs for file MaximumCommonSubgraph.h... Generating docs for file Seed.h... Generating docs for file SeedSet.h... Generating docs for file SubstructMatchCustom.h... Generating docs for file SubstructureCache.h... Generating docs for file Target.h... Generating docs for file TargetMatch.h... Generating docs for file GaussianTorsionAngleContribs.h... Generating docs for file PlanarityContribs.h... Generating docs for file TorsionAngleContribs.h... Generating docs for file TorsionAngleM6.h... Generating docs for file gaussTorsionPreferences_v4.h... Generating docs for file gaussTorsionPreferences_v4_macrocycles.h... Generating docs for file gaussTorsionPreferences_v4_smallrings.h... Generating docs for file TorsionPreferences.h... Generating docs for file FFConvenience.h... Generating docs for file AtomTyper.h... Generating docs for file AtomTyper.h... Generating docs for file Builder.h... Generating docs for file Builder.h... Generating docs for file MMFF.h... Generating docs for file UFF.h... Generating docs for file FragCatalogEntry.h... Generating docs for file FragCatalogUtils.h... Generating docs for file FragCatGenerator.h... Generating docs for file FragCatParams.h... Generating docs for file FragFPGenerator.h... Generating docs for file GaussianShape.h... Generating docs for file ShapeInput.h... Generating docs for file ShapeOverlayOptions.h... Generating docs for file SingleConformerAlignment.h... Generating docs for file XQMol.h... Generating docs for file GenericGroups.h... Generating docs for file GraphMol.h... Generating docs for file MacroAtomInfo.h... Generating docs for file MacroBondInfo.h... Generating docs for file MacroMol.h... Generating docs for file MacroMolTemplate.h... Generating docs for file MarvinDefs.h... Generating docs for file MarvinParser.h... Generating docs for file MMPA.h... Generating docs for file AlignMolecules.h... Generating docs for file O3AAlignMolecules.h... Generating docs for file MolBundle.h... Generating docs for file MolCatalog.h... Generating docs for file MolCatalogEntry.h... Generating docs for file MolCatalogParams.h... Generating docs for file FeatureParser.h... Generating docs for file MolChemicalFeature.h... Generating docs for file MolChemicalFeatureDef.h... Generating docs for file MolChemicalFeatureFactory.h... Generating docs for file AtomSymbol.h... Generating docs for file DrawAnnotation.h... Generating docs for file DrawMol.h... Generating docs for file DrawMolMCH.h... Generating docs for file DrawMolMCHCircleAndLine.h... Generating docs for file DrawMolMCHLasso.h... Generating docs for file DrawShape.h... Generating docs for file DrawText.h... Generating docs for file DrawTextCairo.h... Generating docs for file DrawTextFT.h... Generating docs for file DrawTextFTCairo.h... Generating docs for file DrawTextFTJS.h... Generating docs for file DrawTextFTSVG.h... Generating docs for file DrawTextJS.h... Generating docs for file DrawTextNotFT.h... Generating docs for file DrawTextSVG.h... Generating docs for file roboto_regular.h... Generating docs for file telex_regular.h... Generating docs for file MolDraw2D.h... Generating docs for file MolDraw2DCairo.h... Generating docs for file MolDraw2DDetails.h... Generating docs for file MolDraw2DHelpers.h... Generating docs for file MolDraw2DJS.h... Generating docs for file MolDraw2DSGroupData.h... Generating docs for file MolDraw2DSVG.h... 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Generating docs for file FragmentCatalogEntry.h... Generating docs for file FragmentCatalogParams.h... Generating docs for file FragmentCatalogUtils.h... Generating docs for file Metal.h... Generating docs for file MolStandardize.h... Generating docs for file Normalize.h... Generating docs for file Pipeline.h... Generating docs for file TautomerCatalogEntry.h... Generating docs for file TautomerCatalogParams.h... Generating docs for file TautomerCatalogUtils.h... Generating docs for file TransformCatalogEntry.h... Generating docs for file TransformCatalogParams.h... Generating docs for file TransformCatalogUtils.h... Generating docs for file Validate.h... Generating docs for file MolTransforms.h... Generating docs for file MonomerInfo.h... Generating docs for file new_canon.h... Generating docs for file GasteigerCharges.h... Generating docs for file GasteigerParams.h... Generating docs for file PeriodicTable.h... Generating docs for file QueryAtom.h... 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Generating docs for compound better_enums::map_compare< const cha/build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h:94: warning: The following parameter of DistGeom::computeZMatrixCoords(ZMatrix &zmat, RDGeom::PointPtrVect &positions, int seed=-1) is not documented: parameter 'seed' /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h:271: warning: The following parameter of DistGeom::constructAllInOneForceField(const BoundsMatrix &mmat, RDGeom::PointPtrVect &positions, const ForceFields::CrystalFF::CrystalFFDetails &etkdgDetails, const VECT_CHIRALSET *csets, const std::map< std::pair< unsigned int, unsigned int >, double > *extraWeights=nullptr, const boost::dynamic_bitset<> *fixedPts=nullptr) is not documented: parameter 'fixedPts' /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h:144: warning: The following parameter of DistGeom::constructForceField(const BoundsMatrix &mmat, const RDGeom::PointPtrVect &positions, const VECT_CHIRALSET &csets, const double weightChiral=1.0, const double weightFourthDim=0.1, const std::map< std::pair< int, int >, double > *extraWeights=nullptr, const double basinSizeTol=5.0, const boost::dynamic_bitset<> *fixedPts=nullptr) is not documented: parameter 'fixedPts' /build/reproducible-path/rdkit-202609.1/Code/DistGeom/DistGeomUtils.h:110: warning: The following parameter of DistGeom::constructForceField(const BoundsMatrix &mmat, const RDGeom::PointPtrVect &positions, const VECT_CHIRALSET &csets, const double weightDistance=1.0, const double weightChiral=1.0, const double weightFourthDim=0.1, const std::map< std::pair< int, int >, double > *extraWeights=nullptr, const double basinSizeTol=5.0, const boost::dynamic_bitset<> *fixedPts=nullptr) is not documented: parameter 'fixedPts' /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralViolationContribs.h:53: warning: argument 'cset' of command @param is not found in the argument list of DistGeom::ChiralViolationContribs::ChiralViolationContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralViolationContribs.h:53: warning: argument 'weight' of command @param is not found in the argument list of DistGeom::ChiralViolationContribs::ChiralViolationContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/DistGeom/ChiralViolationContribs.h:53: warning: too many @param commands for function DistGeom::ChiralViolationContribs::ChiralViolationContribs. Found 3 while function has 1 parameter /build/reproducible-path/rdkit-202609.1/Code/DistGeom/FourthDimContribs.h:36: warning: argument 'idx' of command @param is not found in the argument list of DistGeom::FourthDimContribs::FourthDimContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/DistGeom/FourthDimContribs.h:36: warning: argument 'weight' of command @param is not found in the argument list of DistGeom::FourthDimContribs::FourthDimContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/DistGeom/FourthDimContribs.h:36: warning: too many @param commands for function DistGeom::FourthDimContribs::FourthDimContribs. Found 3 while function has 1 parameter /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.h:24: warning: argument 'minAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.h:24: warning: argument 'maxAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraint.h:24: warning: The following parameters of ForceFields::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) are not documented: parameter 'minAngleDeg' parameter 'maxAngleDeg' /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:64: warning: argument 'minAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, bool relative, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:64: warning: argument 'maxAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, bool relative, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:64: warning: The following parameters of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, bool relative, double minAngleDeg, double maxAngleDeg, double forceConst) are not documented: parameter 'minAngleDeg' parameter 'maxAngleDeg' /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:52: warning: argument 'minAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:52: warning: argument 'maxAngle' of command @param is not found in the argument list of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/AngleConstraints.h:52: warning: The following parameters of ForceFields::AngleConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) are not documented: parameter 'minAngleDeg' parameter 'maxAngleDeg' /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h:60: warning: argument 'forceConst' of command @param is not found in the argument list of ForceFields::DistanceConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, bool relative, double minLen, double maxLen, double forceConstant) /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h:60: warning: The following parameter of ForceFields::DistanceConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, bool relative, double minLen, double maxLen, double forceConstant) is not documented: parameter 'forceConstant' /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h:49: warning: argument 'forceConst' of command @param is not found in the argument list of ForceFields::DistanceConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, double minLen, double maxLen, double forceConstant) /build/reproducible-path/rdkit-202609.1/Code/ForceField/DistanceConstraints.h:49: warning: The following parameter of ForceFields::DistanceConstraintContribs::addContrib(unsigned int idx1, unsigned int idx2, double minLen, double maxLen, double forceConstant) is not documented: parameter 'forceConstant' /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h:159: warning: argument 'snapshotFreq' of command @param is not found in the argument list of ForceFields::ForceField::minimize(unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h:159: warning: argument 'snapshotVect' of command @param is not found in the argument list of ForceFields::ForceField::minimize(unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h:159: warning: too many @param commands for function ForceFields::ForceField::minimize. Found 5 while function has 3 parameters /build/reproducible-path/rdkit-202609.1/Code/ForceField/ForceField.h:144: warning: The following parameters of ForceFields::ForceField::minimize(unsigned int snapshotFreq, RDKit::SnapshotVect *snapshotVect, unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) are not documented: parameter 'snapshotFreq' parameter 'snapshotVect' /build/reproducible-path/rdkit-202609.1/Code/ForceField/PositionConstraint.h:25: warning: argument 'minDispl' of command @param is not found in the argument list of ForceFields::PositionConstraintContrib::PositionConstraintContrib(ForceField *owner, unsigned int idx, double maxDispl, double forceConst) /build/reproducible-path/rdkit-202609.1/Code/ForceField/PositionConstraint.h:25: warning: too many @param commands for function ForceFields::PositionConstraintContrib::PositionConstraintContrib. Found 5 while function has 4 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h:49: warning: argument 'forceConst' of command @param is not found in the argument list of ForceFields::CrystalFF::PlanarityContribs::addContrib(std::size_t idx1, std::size_t idx2, std::size_t idx3, std::size_t idx4, double forceConstant=1.0) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h:49: warning: The following parameter of ForceFields::CrystalFF::PlanarityContribs::addContrib(std::size_t idx1, std::size_t idx2, std::size_t idx3, std::size_t idx4, double forceConstant=1.0) is not documented: parameter 'forceConstant' /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleBend.h:28: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::AngleBendContrib::addTerm(unsigned int idx1, unsigned int idx2, unsigned int idx3, const MMFFAngle *mmffAngleParams, const MMFFProp *mmffPropParamsCentralAtom) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/AngleBend.h:28: warning: The following parameters of ForceFields::MMFF::AngleBendContrib::addTerm(unsigned int idx1, unsigned int idx2, unsigned int idx3, const MMFFAngle *mmffAngleParams, const MMFFProp *mmffPropParamsCentralAtom) are not documented: parameter 'mmffAngleParams' parameter 'mmffPropParamsCentralAtom' /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h:27: warning: argument 'bondType' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h:27: warning: argument 'end1Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h:27: warning: argument 'end2Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h:27: warning: The following parameter of ForceFields::MMFF::BondStretchContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) is not documented: parameter 'mmffBondParams' /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/BondStretch.h:27: warning: too many @param commands for function ForceFields::MMFF::BondStretchContrib::addTerm. Found 5 while function has 3 parameters /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Nonbonded.h:81: warning: argument 'idx1' of command @param is not found in the argument list of ForceFields::MMFF::EleContrib::EleContrib(ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Nonbonded.h:81: warning: argument 'idx2' of command @param is not found in the argument list of ForceFields::MMFF::EleContrib::EleContrib(ForceField *owner) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/Nonbonded.h:81: warning: too many @param commands for function ForceFields::MMFF::EleContrib::EleContrib. Found 3 while function has 1 parameter /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/OopBend.h:26: warning: The following parameter of ForceFields::MMFF::OopBendContrib::addTerm(unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFOop *mmffOopParams) is not documented: parameter 'mmffOopParams' /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/StretchBend.h:33: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::StretchBendContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const unsigned int idx3, const MMFFStbn *mmffStbnParams, const MMFFAngle *mmffAngleParams, const MMFFBond *mmffBondParams1, const MMFFBond *mmffBondParams2) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/StretchBend.h:33: warning: The following parameters of ForceFields::MMFF::StretchBendContrib::addTerm(const unsigned int idx1, const unsigned int idx2, const unsigned int idx3, const MMFFStbn *mmffStbnParams, const MMFFAngle *mmffAngleParams, const MMFFBond *mmffBondParams1, const MMFFBond *mmffBondParams2) are not documented: parameter 'mmffStbnParams' parameter 'mmffAngleParams' parameter 'mmffBondParams1' parameter 'mmffBondParams2' /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionAngle.h:34: warning: argument 'torsionType' of command @param is not found in the argument list of ForceFields::MMFF::TorsionAngleContrib::addTerm(unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/TorsionAngle.h:34: warning: The following parameter of ForceFields::MMFF::TorsionAngleContrib::addTerm(unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) is not documented: parameter 'mmffTorParams' /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversion.h:27: warning: The following parameter of ForceFields::UFF::InversionContrib::InversionContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, int at2AtomicNum, bool isCBoundToO, double oobForceScalingFactor=1.0) is not documented: parameter 'oobForceScalingFactor' /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversions.h:81: warning: argument 'pos' of command @param is not found in the argument list of ForceFields::UFF::InversionContribs::getEnergy(const RDGeom::Point3DPtrVect &positions, std::vector< double > &energies) const /build/reproducible-path/rdkit-202609.1/Code/ForceField/UFF/Inversions.h:81: warning: The following parameter of ForceFields::UFF::InversionContribs::getEnergy(const RDGeom::Point3DPtrVect &positions, std::vector< double > &energies) const is not documented: parameter 'positions' r * >... Generating docs for compound better_enums::map_compare< const wchar_t * >... Generating docs for compound better_enums::map< Enum, T, Compare >... Generating docs for namespace BFGSOpt Generating docs for namespace boost Generating docs for namespace boost::logging Generating docs for compound boost::logging::rdLogger... Generating docs for namespace boost::serialization Generating docs for namespace boost_adaptbx Generating docs for namespace boost_adaptbx::python Generating docs for compound boost_adaptbx::python::streambuf... Generating docs for nested compound boost_adaptbx::python::streambuf::istream... Generating docs for nested compound boost_adaptbx::python::streambuf::ostream... Generating docs for compound boost_adaptbx::python::streambuf_capsule... Generating docs for compound boost_adaptbx::python::ostream... Generating docs for namespace ChemicalFeatures Generating docs for compound ChemicalFeatures::ChemicalFeature... Generating docs for compound ChemicalFeatures::FreeChemicalFeature... Generating docs for namespace conrec Generating docs for compound conrec::ConrecSegment... Generating docs for compound conrec::tplHash... Generating docs for namespace DistGeom Generating docs for compound DistGeom::BoundsMatrix... Generating docs for compound DistGeom::ChiralSet... Generating docs for compound DistGeom::ChiralViolationContribs... Generating docs for compound DistGeom::ChiralViolationContribsParams... Generating docs for compound DistGeom::DistViolationContribs... Generating docs for compound DistGeom::DistViolationContribsParams... Generating docs for compound DistGeom::FourthDimContribs... Generating docs for compound DistGeom::FourthDimContribsParams... Generating docs for compound DistGeom::overloaded< Ts >... Generating docs for compound DistGeom::TorsionRange... Generating docs for compound DistGeom::TorsionValues... Generating docs for compound DistGeom::ZMatrix... Generating docs for nested compound DistGeom::ZMatrix::InternalCoordinateReference... Generating docs for nested compound DistGeom::ZMatrix::TorsionDependence... Generating docs for nested compound DistGeom::ZMatrix::ZMatrixRow... Generating docs for nested compound DistGeom::ZMatrix::Iterator... Generating docs for namespace ForceFields Generating docs for compound ForceFields::AngleConstraintContrib... Generating docs for compound ForceFields::AngleConstraintContribs... Generating docs for compound ForceFields::AngleConstraintContribsParams... Generating docs for compound ForceFields::DistanceConstraintContrib... Generating docs for compound ForceFields::DistanceConstraintContribs... Generating docs for compound ForceFields::DistanceConstraintContribsParams... Generating docs for compound ForceFields::ForceField... Generating docs for compound ForceFields::ForceFieldContrib... Generating docs for compound ForceFields::PositionConstraintContrib... Generating docs for compound ForceFields::TorsionConstraintContrib... Generating docs for namespace ForceFields::CrystalFF Generating docs for compound ForceFields::CrystalFF::CrystalFFDetails... Generating docs for compound ForceFields::CrystalFF::ExpTorsionAngle... Generating docs for compound ForceFields::CrystalFF::GaussianExpTorsionAngle... Generating docs for compound ForceFields::CrystalFF::GaussianTorsionAngleContribs... Generating docs for compound ForceFields::CrystalFF::GaussianTorsionAngleContribsParams... Generating docs for compound ForceFields::CrystalFF::PlanarityContribs... Generating docs for compound ForceFields::CrystalFF::PlanarityContribsParams... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribM6... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribs... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribsParams... Generating docs for concept ForceFields::CrystalFF::TorsionAngleType... Generating docs for namespace ForceFields::CrystalFF::ETKDGForceConsts Generating docs for compound ForceFields::CrystalFF::ETKDGForceConsts::Params... Generating docs for namespace ForceFields::CrystalFF::ETKDGForceConsts::AIO Generating docs for namespace ForceFields::CrystalFF::ETKDGForceConsts::SEQ Generating docs for namespace ForceFields::MMFF Generating docs for compound ForceFields::MMFF::AngleBendContrib... Generating docs for compound ForceFields::MMFF::BondStretchContrib... Generating docs for compound ForceFields::MMFF::EleContrib... Generating docs for compound ForceFields::MMFF::MMFFAngle... Generating docs for compound ForceFields::MMFF::MMFFAngleCollection... Generating docs for compound ForceFields::MMFF::MMFFAromCollection... Generating docs for compound ForceFields::MMFF::MMFFBndkCollection... Generating docs for compound ForceFields::MMFF::MMFFBond... Generating docs for compound ForceFields::MMFF::MMFFBondCollection... Generating docs for compound ForceFields::MMFF::MMFFChg... Generating docs for compound ForceFields::MMFF::MMFFChgCollection... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEle... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEleCollection... Generating docs for compound ForceFields::MMFF::MMFFDef... Generating docs for compound ForceFields::MMFF::MMFFDefCollection... Generating docs for compound ForceFields::MMFF::MMFFDfsbCollection... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurie... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurieCollection... Generating docs for compound ForceFields::MMFF::MMFFOop... Generating docs for compound ForceFields::MMFF::MMFFOopCollection... Generating docs for compound ForceFields::MMFF::MMFFPBCI... Generating docs for compound ForceFields::MMFF::MMFFPBCICollection... Generating docs for compound ForceFields::MMFF::MMFFProp... Generating docs for compound ForceFields::MMFF::MMFFPropCollection... Generating docs for compound ForceFields::MMFF::MMFFStbn... Generating docs for compound ForceFields::MMFF::MMFFStbnCollection... Generating docs for compound ForceFields::MMFF::MMFFTor... Generating docs for compound ForceFields::MMFF::MMFFTorCollection... Generating docs for compound ForceFields::MMFF::MMFFVdW... Generating docs for compound ForceFields::MMFF::MMFFVdWCollection... Generating docs for compound ForceFields::MMFF::MMFFVdWRijstarEps... Generating docs for compound ForceFields::MMFF::NonbondedContrib... Generating docs for compound ForceFields::MMFF::OopBendContrib... Generating docs for compound ForceFields::MMFF::StretchBendContrib... Generating docs for compound ForceFields::MMFF::TorsionAngleContrib... Generating docs for compound ForceFields::MMFF::VdWContrib... Generating docs for namespace ForceFields::MMFF::Utils Generating docs for namespace ForceFields::UFF Generating docs for compound ForceFields::UFF::AngleBendContrib... Generating docs for compound ForceFields::UFF::AtomicParams... Generating docs for compound ForceFields::UFF::BondStretchContrib... Generating docs for compound ForceFields::UFF::InversionContrib... Generating docs for compound ForceFields::UFF::InversionContribs... Generating docs for compound ForceFields::UFF::InversionContribsParams... Generating docs for compound ForceFields::UFF::ParamCollection... Generating docs for compound ForceFields::UFF::TorsionAngleContrib... Generating docs for compound ForceFields::UFF::UFFAngle... Generating docs for compound ForceFields::UFF::UFFBond... Generating docs for compound ForceFields::UFF::UFFInv... Generating docs for compound ForceFields::UFF::UFFTor... Generating docs for compound ForceFields::UFF::UFFVdW... Generating docs for compound ForceFields::UFF::vdWContrib... Generating docs for namespace ForceFields::UFF::Params Generating docs for namespace ForceFields::UFF::Utils Generating docs for namespace GaussTorsions Generating docs for namespace GaussTorsions::V4 Generating docs for namespace Invar Generating docs for compound Invar::Invariant... Generating docs for namespace MolTransforms Generating docs for namespace Queries Generating docs for compound Queries::AndQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/RDDepictor.h:395: warning: argument 'refPattern' of command @param is not found in the argument list of RDDepict::generateDepictionMatching3DStructure(RDKit::ROMol &mol, const RDKit::ROMol &reference, int confId=-1, RDKit::ROMol *referencePattern=nullptr, bool acceptFailure=false, bool forceRDKit=false) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/RDDepictor.h:395: warning: The following parameter of RDDepict::generateDepictionMatching3DStructure(RDKit::ROMol &mol, const RDKit::ROMol &reference, int confId=-1, RDKit::ROMol *referencePattern=nullptr, bool acceptFailure=false, bool forceRDKit=false) is not documented: parameter 'referencePattern' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstanceGroup.h:282: warning: The following parameter of RDKit::addSubstanceGroup(ROMol &mol, SubstanceGroup sgroup) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceParsers.h:105: warning: argument 'seq' of command @param is not found in the argument list of RDKit::HELMToMol(const char *helm, bool sanitize=true) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/SequenceParsers.h:105: warning: The following parameter of RDKit::HELMToMol(const char *helm, bool sanitize=true) is not documented: parameter 'helm' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h:69: warning: The following parameter of RDKit::LayeredFingerprintMol(const ROMol &mol, unsigned int layerFlags=0xFFFFFFFF, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, std::vector< unsigned int > *atomCounts=nullptr, ExplicitBitVect *setOnlyBits=nullptr, bool branchedPaths=true, const std::vector< std::uint32_t > *fromAtoms=nullptr) is not documented: parameter 'fromAtoms' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.h:226: warning: argument 'doRandom' of command @param is not found in the argument list of RDKit::MolFragmentToSmiles(const ROMol &mol, const std::vector< int > &atomsToUse, const std::vector< int > *bondsToUse=nullptr, const std::vector< std::string > *atomSymbols=nullptr, const std::vector< std::string > *bondSymbols=nullptr, bool doIsomericSmiles=true, bool doKekule=false, int rootedAtAtom=-1, bool canonical=true, bool allBondsExplicit=false, bool allHsExplicit=false) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.h:226: warning: too many @param commands for function RDKit::MolFragmentToSmiles. Found 12 while function has 11 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:35: warning: argument 'MolWriterParams' of command @param is not found in the argument list of RDKit::MolToMolBlock(const ROMol &mol, const MolWriterParams ¶ms, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:35: warning: The following parameter of RDKit::MolToMolBlock(const ROMol &mol, const MolWriterParams ¶ms, int confId=-1) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:110: warning: argument 'MolWriterParams' of command @param is not found in the argument list of RDKit::MolToMolFile(const ROMol &mol, const std::string &fName, const MolWriterParams ¶ms, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:110: warning: The following parameter of RDKit::MolToMolFile(const ROMol &mol, const std::string &fName, const MolWriterParams ¶ms, int confId=-1) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinParser.h:179: warning: The following parameters of RDKit::MolToMrvBlock(const ROMol &mol, bool includeStereo=true, int confId=-1, bool kekulize=true, bool prettyPrint=false) are not documented: parameter 'mol' parameter 'includeStereo' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MarvinParse/MarvinParser.h:154: warning: The following parameters of RDKit::MolToMrvFile(const ROMol &mol, const std::string &fName, bool includeStereo=true, int confId=-1, bool kekulize=true, bool prettyPrint=false) are not documented: parameter 'mol' parameter 'fName' parameter 'includeStereo' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:226: warning: argument 'fName' of command @param is not found in the argument list of RDKit::MolToPDBFile(const ROMol &mol, const std::string &fname, int confId=-1, unsigned int flavor=0) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:226: warning: The following parameter of RDKit::MolToPDBFile(const ROMol &mol, const std::string &fname, int confId=-1, unsigned int flavor=0) is not documented: parameter 'fname' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:96: warning: argument 'MolWriterParams' of command @param is not found in the argument list of RDKit::MolToV2KMolBlock(const ROMol &mol, const MolWriterParams ¶ms=MolWriterParams(), int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:96: warning: The following parameter of RDKit::MolToV2KMolBlock(const ROMol &mol, const MolWriterParams ¶ms=MolWriterParams(), int confId=-1) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:65: warning: argument 'MolWriterParams' of command @param is not found in the argument list of RDKit::MolToV3KMolBlock(const ROMol &mol, const MolWriterParams ¶ms, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:65: warning: The following parameter of RDKit::MolToV3KMolBlock(const ROMol &mol, const MolWriterParams ¶ms, int confId=-1) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:141: warning: argument 'MolWriterParams' of command @param is not found in the argument list of RDKit::MolToV3KMolFile(const ROMol &mol, const std::string &fName, const MolWriterParams ¶ms, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileWriters.h:141: warning: The following parameter of RDKit::MolToV3KMolFile(const ROMol &mol, const std::string &fName, const MolWriterParams ¶ms, int confId=-1) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h:120: warning: The following parameter of RDKit::PatternFingerprintMol(const ROMol &mol, unsigned int fpSize=2048, std::vector< unsigned int > *atomCounts=nullptr, ExplicitBitVect *setOnlyBits=nullptr, bool tautomericFingerprint=false) is not documented: parameter 'tautomericFingerprint' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h:27: warning: argument 'useBondOrders' of command @param is not found in the argument list of RDKit::RDKFingerprintMol(const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=true, bool useBondOrder=true, std::vector< std::uint32_t > *atomInvariants=nullptr, const std::vector< std::uint32_t > *fromAtoms=nullptr, std::vector< std::vector< std::uint32_t > > *atomBits=nullptr, std::map< std::uint32_t, std::vector< std::vector< int > > > *bitInfo=nullptr) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Fingerprints.h:27: warning: The following parameters of RDKit::RDKFingerprintMol(const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=true, bool useBondOrder=true, std::vector< std::uint32_t > *atomInvariants=nullptr, const std::vector< std::uint32_t > *fromAtoms=nullptr, std::vector< std::vector< std::uint32_t > > *atomBits=nullptr, std::map< std::uint32_t, std::vector< std::vector< int > > > *bitInfo=nullptr) are not documented: parameter 'useBondOrder' parameter 'bitInfo' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.h:94: warning: The following parameter of RDKit::reduceProductToSideChains(const ROMOL_SPTR &product, bool addDummyAtoms=true) is not documented: parameter 'product' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/ChemTransforms.h:114: warning: argument 'useChirality' of command @param is not found in the argument list of RDKit::replaceCore(const ROMol &mol, const ROMol &core, const MatchVectType &matchVect, bool replaceDummies=true, bool labelByIndex=false, bool requireDummyMatch=false) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemTransforms/ChemTransforms.h:114: warning: too many @param commands for function RDKit::replaceCore. Found 7 while function has 6 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.h:66: warning: argument 'reactantTemplateIdx' of command @param is not found in the argument list of RDKit::run_Reactant(const ChemicalReaction &rxn, const ROMOL_SPTR &reactant, unsigned int reactantIdx) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/ReactionRunner.h:66: warning: The following parameters of RDKit::run_Reactant(const ChemicalReaction &rxn, const ROMOL_SPTR &reactant, unsigned int reactantIdx) are not documented: parameter 'rxn' parameter 'reactantIdx' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:99: warning: argument 'matchParams' of command @param is not found in the argument list of RDKit::SubstructMatch(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:99: warning: The following parameter of RDKit::SubstructMatch(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:126: warning: argument 'matchParams' of command @param is not found in the argument list of RDKit::SubstructMatch(ResonanceMolSupplier &resMolSuppl, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:126: warning: The following parameter of RDKit::SubstructMatch(ResonanceMolSupplier &resMolSuppl, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:181: warning: The following parameter of RDKit::SubstructMatch(T1 &mol, const T2 &query, std::vector< MatchVectType > &matchVect, bool uniquify=true, bool recursionPossible=true, bool useChirality=false, bool useQueryQueryMatches=false, unsigned int maxMatches=1000, int numThreads=1) is not documented: parameter 'numThreads' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:113: warning: argument 'matchParams' of command @param is not found in the argument list of RDKit::SubstructMatchCount(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Substruct/SubstructMatch.h:113: warning: The following parameter of RDKit::SubstructMatchCount(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h:136: warning: The following parameters of RDKit::AtomEnvironment::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const=0 are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Reaction.h:220: warning: argument 'maxProducts' of command @param is not found in the argument list of RDKit::ChemicalReaction::runReactants(const MOL_SPTR_VECT reactants, unsigned int numProducts=1000) const /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Reaction.h:220: warning: The following parameter of RDKit::ChemicalReaction::runReactants(const MOL_SPTR_VECT reactants, unsigned int numProducts=1000) const is not documented: parameter 'numProducts' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h:430: warning: argument 'matches' of command @param is not found in the argument list of RDKit::ExclusionList::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 98 in file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::ExclusionList::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatcherBase::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const=0 /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::FilterMatcherBase::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const=0 is not documented: parameter 'matchVect' , needsConversion >... Generating docs for compound Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::Int2Type< v >... Generating docs for compound Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::OrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::XOrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for namespace Rankers Generating docs for namespace RDCatalog Generating docs for compound RDCatalog::Catalog< entryType, paramType >... Generating docs for compound RDCatalog::CatalogEntry... Generating docs for compound RDCatalog::CatalogParams... Generating docs for compound RDCatalog::HierarchCatalog< entryType, paramType, orderType >... Generating docs for nested compound RDCatalog::HierarchCatalog< entryType, paramType, orderType >::vertex_entry_t... Generating docs for namespace RDDataManip Generating docs for compound RDDataManip::MetricMatrixCalc< vectType, entryType >... Generating docs for namespace RDDepict Generating docs for compound RDDepict::Compute2DCoordParameters... Generating docs for compound RDDepict::ConstrainedDepictionParams... Generating docs for compound RDDepict::CoordinateTemplates... Generating docs for compound RDDepict::DepictException... Generating docs for compound RDDepict::EmbeddedAtom... Generating docs for compound RDDepict::EmbeddedFrag... Generating docs for compound RDDepict::gtIIPair... Generating docs for namespace RDFeatures Generating docs for compound RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >... Generating docs for compound RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >... Generating docs for namespace RDGeom Generating docs for compound RDGeom::Grid3D< VectorType, ValueType1, ValueType2 >... Generating docs for compound RDGeom::GridException... Generating docs for compound RDGeom::Point... Generating docs for compound RDGeom::Point2D... Generating docs for compound RDGeom::Point3D... Generating docs for compound RDGeom::PointND... Generating docs for compound RDGeom::Transform2D... Generating docs for compound RDGeom::Transform3D... Generating docs for compound RDGeom::UniformGrid3D... Generating docs for compound RDGeom::UniformRealValueGrid3D... Generating docs for namespace RDInfoTheory Generating docs for compound RDInfoTheory::BitCorrMatGenerator... Generating docs for compound RDInfoTheory::InfoBitRanker... Generating docs for namespace RDKit Generating docs for compound RDKit::AdditionalOutput... Generating docs for compound RDKit::AromaticAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::Atom... Generating docs for compound RDKit::AtomCoordsMatchFunctor... Generating docs for compound RDKit::AtomEnvironment< OutputType >... Generating docs for compound RDKit::AtomEnvironmentGenerator< OutputType >... Generating docs for compound RDKit::atomicData... Generating docs for compound RDKit::AtomInvariantsGenerator... Generating docs for compound RDKit::AtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::AtomKekulizeException... Generating docs for compound RDKit::AtomMonomerInfo... Generating docs for compound RDKit::AtomPDBResidueInfo... Generating docs for compound RDKit::AtomRingQuery... Generating docs for compound RDKit::AtomSanitizeException... Generating docs for compound RDKit::AtomValenceException... Generating docs for compound RDKit::BadFileException... Generating docs for compound RDKit::Bond... Generating docs for compound RDKit::BondInvariantsGenerator... Generating docs for compound RDKit::BondIterator_... Generating docs for compound RDKit::CachedMolHolder... Generating docs for compound RDKit::CachedSmilesMolHolder... Generating docs for compound RDKit::CachedTrustedSmilesMolHolder... Generating docs for compound RDKit::CartesianProduct... Generating docs for compound RDKit::CartesianProductStrategy... Generating docs for compound RDKit::charptr_functor... Generating docs for compound RDKit::ChemicalReaction... Generating docs for compound RDKit::ChemicalReactionException... Generating docs for compound RDKit::ChemicalReactionParserException... Generating docs for compound RDKit::Conformer... Generating docs for compound RDKit::ConformerException... Generating docs for compound RDKit::ConstBondIterator_... Generating docs for compound RDKit::ControlCCaught... Generating docs for compound RDKit::ControlCHandler... Generating docs for compound RDKit::CustomPropHandler... Generating docs for compound RDKit::CXXAtomIterator< Graph, Vertex, Iterator, CheckedAtoms, CheckedBonds >... Generating docs for nested compound RDKit::CXXAtomIterator< Graph, Vertex, Iterator, CheckedAtoms, CheckedBonds >::CXXAtomIter... Generating docs for compound RDKit::CXXBondIterator< Graph, Edge, Iterator, Checked >... Generating docs for nested compound RDKit::CXXBondIterator< Graph, Edge, Iterator, Checked >::CXXBondIter... Generating docs for compound RDKit::DataStructsExplicitBitVecPropHandler... Generating docs for compound RDKit::Dict... Generating docs for nested compound RDKit::Dict::Pair... Generating docs for compound RDKit::DiscreteDistMat... Generating docs for compound RDKit::DiscreteValueVect... Generating docs for compound RDKit::DrawColour... Generating docs for compound RDKit::EnumerateLibrary... Generating docs for compound RDKit::EnumerateLibraryBase... Generating docs for compound RDKit::EnumerationParams... Generating docs for compound RDKit::EnumerationStrategyBase... Generating docs for compound RDKit::EnumerationStrategyException... Generating docs for compound RDKit::EvenSamplePairsStrategy... Generating docs for compound RDKit::ExclusionList... Generating docs for compound RDKit::ExtendedQueryMol... Generating docs for compound RDKit::FeatureFileParseException... Generating docs for compound RDKit::FileParseException... Generating docs for compound RDKit::FilterCatalog... Generating docs for compound RDKit::FilterCatalogEntry... Generating docs for compound RDKit::FilterCatalogParams... Generating docs for compound RDKit::FilterData_t... Generating docs for compound RDKit::FilterHierarchyMatcher... Generating docs for compound RDKit::FilterMatch... Generating docs for compound RDKit::FilterMatcherBase... Generating docs for compound RDKit::FilterProperty_t... Generating docs for compound RDKit::FingerprintArguments... Generating docs for compound RDKit::FingerprintFuncArguments... Generating docs for compound RDKit::FingerprintGenerator< OutputType >... Generating docs for compound RDKit::FingerprintVarianceScoreData... Generating docs for compound RDKit::FixedMolSizeMolBundle... Generating docs for compound RDKit::FPBReader... Generating docs for compound RDKit::FPHolderBase... Generating docs for compound RDKit::FragCatalogEntry... Generating docs for compound RDKit::FragCatGenerator... Generating docs for compound RDKit::FragCatParams... Generating docs for compound RDKit::FragFPGenerator... Generating docs for compound RDKit::GaResult... Generating docs for compound RDKit::GasteigerParams... Generating docs for compound RDKit::HasPropQuery< TargetPtr >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, T >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, std::string >... Generating docs for compound RDKit::HasPropWithValueQueryBase... Generating docs for compound RDKit::HeteroatomIterator_< Atom_, Mol_ >... Generating docs for compoun/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:71: warning: argument highlight_atoms from the argument list of RDKit::MolDraw2D::drawMolecule has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:71: warning: The following parameter of RDKit::MolDraw2D::drawMolecule(const ROMol &mol, const std::string &legend, const std::vector< int > *highlight_atoms, const std::vector< int > *highlight_bonds, const std::map< int, DrawColour > *highlight_atom_map=nullptr, const std::map< int, DrawColour > *highlight_bond_map=nullptr, const std::map< int, double > *highlight_radii=nullptr, int confId=-1) is not documented: parameter 'highlight_bonds' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'highlight_atom_map' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'highlight_bond_map' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'confId' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument highlight_atoms from the argument list of RDKit::MolDraw2D::drawMolecules has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: The following parameters of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) are not documented: parameter 'highlight_bonds' parameter 'highlight_atom_maps' parameter 'highlight_bond_maps' parameter 'confIds' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.h:116: warning: argument 'numThreads' of command @param is not found in the argument list of RDKit::ResonanceMolSupplier::ResonanceMolSupplier(ROMol &mol, unsigned int flags=0, unsigned int maxStructs=1000) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Resonance.h:116: warning: too many @param commands for function RDKit::ResonanceMolSupplier::ResonanceMolSupplier. Found 4 while function has 3 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h:336: warning: argument 'matches' of command @param is not found in the argument list of RDKit::SmartsMatcher::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 98 in file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::SmartsMatcher::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Abbreviations/Abbreviations.h:106: warning: The following parameter of RDKit::Abbreviations::findApplicableAbbreviationMatches(const ROMol &mol, const std::vector< AbbreviationDefinition > &abbrevs, double maxCoverage=0.4) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h:136: warning: The following parameters of RDKit::AtomPair::AtomPairAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/AtomPairs.h:97: warning: The following parameter of RDKit::AtomPairs::getHashedAtomPairFingerprint(const ROMol &mol, unsigned int nBits=2048, unsigned int minLength=1, unsigned int maxLength=maxPathLen - 1, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, const std::vector< std::uint32_t > *atomInvariants=nullptr, bool includeChirality=false, bool use2D=true, int confId=-1) is not documented: parameter 'confId' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintUtil.h:76: warning: The following parameter of RDKit::AtomPairs::getTopologicalTorsionCode(const std::vector< std::uint32_t > &atomCodes, bool includeChirality=false) is not documented: parameter 'includeChirality' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Canon.h:100: warning: The following parameters of RDKit::Canon::canonicalizeFragment(ROMol &mol, int atomIdx, std::vector< AtomColors > &colors, const std::vector< unsigned int > &ranks, MolStack &molStack, const boost::dynamic_bitset<> *bondsInPlay=nullptr, const std::vector< std::string > *bondSymbols=nullptr, bool doIsomericSmiles=false, bool doRandom=false, bool doChiralInversions=true) are not documented: parameter 'bondsInPlay' parameter 'bondSymbols' parameter 'doIsomericSmiles' parameter 'doRandom' parameter 'doChiralInversions' d RDKit::KekulizeException... Generating docs for compound RDKit::KeyFromPropHolder... Generating docs for compound RDKit::KeyHolderBase... Generating docs for compound RDKit::larger_of< T >... Generating docs for compound RDKit::ltDouble... Generating docs for compound RDKit::MacroAtomInfo... Generating docs for compound RDKit::MacroBondInfo... Generating docs for nested compound RDKit::MacroBondInfo::BondInfo... Generating docs for compound RDKit::MacroMol... Generating docs for compound RDKit::MacroMolLeavingGroup... Generating docs for compound RDKit::MacroMolTemplate... Generating docs for compound RDKit::MacroMolTemplateBuilder... Generating docs for compound RDKit::MacroMolTemplateLibrary... Generating docs for compound RDKit::MarvinArrow... Generating docs for compound RDKit::MarvinAtom... Generating docs for compound RDKit::MarvinAttachmentPoint... Generating docs for compound RDKit::MarvinBond... Generating docs for compound RDKit::MarvinBondStereo... Generating docs for compound RDKit::MarvinCondition... Generating docs for compound RDKit::MarvinDataSgroup... Generating docs for compound RDKit::MarvinGenericSgroup... Generating docs for compound RDKit::MarvinMol... Generating docs for compound RDKit::MarvinMolBase... Generating docs for compound RDKit::MarvinMonomerSgroup... Generating docs for compound RDKit::MarvinMulticenterSgroup... Generating docs for compound RDKit::MarvinMultipleSgroup... Generating docs for compound RDKit::MarvinPlus... Generating docs for compound RDKit::MarvinReaction... Generating docs for compound RDKit::MarvinRectangle... Generating docs for compound RDKit::MarvinSruCoModSgroup... Generating docs for compound RDKit::MarvinStereoGroup... Generating docs for compound RDKit::MarvinSuperatomSgroup... Generating docs for compound RDKit::MarvinSuperatomSgroupExpanded... Generating docs for compound RDKit::MarvinWriterException... Generating docs for compound RDKit::MatchingAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::MaxFindBondOrdersItersExceeded... Generating docs for compound RDKit::MCSAtomCompareParameters... Generating docs for compound RDKit::MCSBondCompareParameters... Generating docs for compound RDKit::MCSParameters... Generating docs for compound RDKit::MCSProgressData... Generating docs for compound RDKit::MCSResult... Generating docs for compound RDKit::MolBundle... Generating docs for compound RDKit::MolCatalogEntry... Generating docs for compound RDKit::MolCatalogParams... Generating docs for compound RDKit::MolChemicalFeature... Generating docs for compound RDKit::MolChemicalFeatureDef... Generating docs for compound RDKit::MolChemicalFeatureFactory... Generating docs for compound RDKit::MolDraw2D... Generating docs for compound RDKit::MolDraw2DCairo... Generating docs for compound RDKit::MolDraw2DJS... Generating docs for compound RDKit::MolDraw2DQt... Generating docs for compound RDKit::MolDraw2DSVG... Generating docs for compound RDKit::MolDraw2Dwx... Generating docs for compound RDKit::MolDrawOptions... Generating docs for compound RDKit::MolHolder... Generating docs for compound RDKit::MolHolderBase... Generating docs for compound RDKit::MolMatchFinalCheckFunctor... Generating docs for compound RDKit::MolPickler... Generating docs for compound RDKit::MolPicklerException... Generating docs for compound RDKit::MolSanitizeException... Generating docs for compound RDKit::MolWriter... Generating docs for compound RDKit::MolWriterParams... Generating docs for compound RDKit::MolzipParams... Generating docs for compound RDKit::MrvWriterParams... Generating docs for compound RDKit::MultiFPBReader... Generating docs for compound RDKit::PairHolder... Generating docs for compound RDKit::PatternHolder... Generating docs for compound RDKit::PDBWriter... Generating docs for compound RDKit::PeriodicTable... Generating docs for compound RDKit::PNGMetadataParams... Generating docs for compound RDKit::ProgressBar... Generating docs for compound RDKit::QueryAtom... Generating docs for compound RDKit::QueryAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::QueryBond... Generating docs for compound RDKit::RandomSampleAllBBsStrategy... Generating docs for compound RDKit::RandomSampleStrategy... Generating docs for compound RDKit::RCore... Generating docs for compound RDKit::RDAny... Generating docs for compound RDKit::RDProps... Generating docs for compound RDKit::RDValue... Generating docs for compound RDKit::ReactionFingerprintParams... Generating docs for compound RDKit::ReactionPickler... Generating docs for compound RDKit::ReactionPicklerException... Generating docs for compound RDKit::RealValueVect... Generating docs for compound RDKit::RecursiveStructureQuery... Generating docs for compound RDKit::ResonanceMolSupplier... Generating docs for compound RDKit::ResonanceMolSupplierCallback... Generating docs for compound RDKit::RGroupData... Generating docs for compound RDKit::RGroupDecompData... Generating docs for nested compound RDKit::RGroupDecompData::UsedLabels... Generating docs for compound RDKit::RGroupDecomposition... Generating docs for compound RDKit::RGroupDecompositionChromosome... Generating docs for compound RDKit::RGroupDecompositionParameters... Generating docs for compound RDKit::RGroupDecompositionProcessResult... Generating docs for compound RDKit::RGroupGa... Generating docs for compound RDKit::RGroupMatch... Generating docs for compound RDKit::RGroupScorer... Generating docs for compound RDKit::RigorousEnhancedStereoException... Generating docs for compound RDKit::RingInfo... Generating docs for compound RDKit::ROMol... Generating docs for compound RDKit::RWMol... Generating docs for compound RDKit::RxnSanitizeException... Generating docs for compound RDKit::SDWriter... Generating docs for compound RDKit::SLNParseException... Generating docs for compound RDKit::SmartsMatcher... Generating docs for compound RDKit::SmilesWriteParams... Generating docs for compound RDKit::SmilesWriter... Generating docs for compound RDKit::Snapshot... Generating docs for compound RDKit::SparseIntVect< IndexType >... Generating docs for compound RDKit::StereoBondThresholds... Generating docs for compound RDKit::StereoGroup... Generating docs for compound RDKit::SubsetInfo... Generating docs for compound RDKit::SubsetOptions... Generating docs for compound RDKit::SubstanceGroup... Generating docs for nested compound RDKit::SubstanceGroup::AttachPoint... Generating docs for nested compound RDKit::SubstanceGroup::CState... Generating docs for compound RDKit::SubstanceGroupException... Generating docs for compound RDKit::SubstructLibrary... Generating docs for compound RDKit::SubstructMatchParameters... Generating docs for compound RDKit::TautomerPatternHolder... Generating docs for compound RDKit::TautomerQuery... Generating docs for compound RDKit::TDTWriter... Generating docs for compound RDKit::Trajectory... Generating docs for compound RDKit::UnimplementedFPException... Generating docs for compound RDKit::UsedLabelMap... Generating docs for compound RDKit::VarianceDataForLabel... Generating docs for namespace RDKit::Abbreviations Generating docs for compound RDKit::Abbreviations::AbbreviationDefinition... Generating docs for compound RDKit::Abbreviations::AbbreviationMatch... Generating docs for namespace RDKit::Abbreviations::common_properties Generating docs for namespace RDKit::Abbreviations::Utils Generating docs for namespace RDKit::AtomPair Generating docs for compound RDKit::AtomPair::AtomPairAtomInvGenerator... Generating docs for compound RDKit::AtomPair::AtomPairArguments... Generating docs for compound RDKit::AtomPair::AtomPairAtomEnv< OutputType >... Generating docs for compound RDKit::AtomPair::AtomPairEnvGenerator< OutputType >... Generating docs for namespace RDKit::AtomPairs Generating docs for namespace RDKit::Atropisomers Generating docs for namespace RDKit::Canon Generating docs for compound RDKit::Canon::AtomCompareCode... Generating docs for compound RDKit::Canon::AtomCompareFunctor... Generating docs for compound RDKit::Canon::bondholder... Generating docs for compound RDKit::Canon::canon_atom... Generating docs for compound RDKit::Canon:/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h:420: warning: The following parameters of RDKit::Chirality::findMesoCenters(const ROMol &mol, bool includeIsotopes=true, bool includeAtomMaps=false) are not documented: parameter 'includeIsotopes' parameter 'includeAtomMaps' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h:138: warning: The following parameter of RDKit::Chirality::findPotentialStereo(ROMol &mol, bool cleanIt, bool flagPossible=true) is not documented: parameter 'flagPossible' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Chirality.h:190: warning: The following parameter of RDKit::Chirality::getTrigonalBipyramidalAxialBond(const Atom *center, int which=0) is not documented: parameter 'center' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Lipinski.h:45: warning: argument 'strict' of command @param is not found in the argument list of RDKit::Descriptors::calcNumRotatableBonds(const ROMol &mol, NumRotatableBondsOptions useStrictDefinition=Default) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Lipinski.h:45: warning: The following parameter of RDKit::Descriptors::calcNumRotatableBonds(const ROMol &mol, NumRotatableBondsOptions useStrictDefinition=Default) is not documented: parameter 'useStrictDefinition' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/USRDescriptor.h:68: warning: The following parameter of RDKit::Descriptors::USRCAT(const ROMol &mol, std::vector< double > &descriptor, std::vector< std::vector< unsigned int > > &atomIds, int confId=-1) is not documented: parameter 'atomIds' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Embedder.h:335: warning: The following parameter of RDKit::DGeomHelpers::EmbedMultipleConfs(ROMol &mol, INT_VECT &res, unsigned int numConfs=10, int numThreads=1, unsigned int maxIterations=30, int seed=-1, bool clearConfs=true, bool useRandomCoords=false, double boxSizeMult=2.0, bool randNegEig=true, unsigned int numZeroFail=1, double pruneRmsThresh=-1.0, const std::map< int, RDGeom::Point3D > *coordMap=nullptr, double optimizerForceTol=1e-3, bool ignoreSmoothingFailures=false, bool enforceChirality=true, bool useExpTorsionAnglePrefs=false, bool useBasicKnowledge=false, bool verbose=false, double basinThresh=5.0, bool onlyHeavyAtomsForRMS=false, unsigned int ETversion=2, bool useSmallRingTorsions=false, bool useMacrocycleTorsions=true, bool useMacrocycle14config=true, unsigned int timeout=0) is not documented: parameter 'timeout' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:48: warning: The following parameter of RDKit::DGeomHelpers::setTopolBounds(const ROMol &mol, DistGeom::BoundsMatPtr mmat, bool set15bounds=true, bool scaleVDW=false, bool useMacrocycle14config=false, bool forceTransAmides=true, bool set14bounds=true, bool set13bounds=true, const EmbedFF embedForceField=EmbedFF::UFF) is not documented: parameter 'embedForceField' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h:98: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::And::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 98 in file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::FilterMatchOps::And::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h:161: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::Or::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 98 in file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::FilterMatchOps::Or::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatchers.h:218: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::Not::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 98 in file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:98: warning: The following parameter of RDKit::FilterMatchOps::Not::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/SingleConformerAlignment.h:38: warning: The following parameters of RDKit::GaussianShape::SingleConformerAlignment::SingleConformerAlignment(const std::vector< double > &ref, const std::vector< double > &refAlphas, const int *refTypes, const boost::dynamic_bitset<> *refCarbonRadii, int nRefShape, int nRefColor, double refShapeVol, double refColorVol, const std::vector< double > &fit, const std::vector< double > &fitAlphas, const int *fitTypes, const boost::dynamic_bitset<> *fitCarbonRadii, int nFitShape, int nFitColor, double fitShapeVol, double fitColorVol, const std::array< double, 7 > &initQuatTrans, OptimMode optimMode, double simAlpha, double simBeta, double mixingParam, bool useCutoff, double distCutoff, double shapeConvergenceCriterion, unsigned int maxIts) are not documented: parameter 'initQuatTrans' parameter 'shapeConvergenceCriterion' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MHFP.h:93: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::CreateShingling(const ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MHFP.h:132: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::Encode(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MHFP.h:183: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::EncodeSECFP(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA.h:28: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int maxCuts=3, unsigned int maxCutBonds=20, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented: parameter 'pattern' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/MMPA.h:49: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int minCuts, unsigned int maxCuts, unsigned int maxCutBonds, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented: parameter 'pattern' :ChiralAtomCompareFunctor... Generating docs for compound RDKit::Canon::MolStackElem... Generating docs for compound RDKit::Canon::MolStackUnion... Generating docs for compound RDKit::Canon::SpecialChiralityAtomCompareFunctor... Generating docs for compound RDKit::Canon::SpecialSymmetryAtomCompareFunctor... Generating docs for namespace RDKit::Canon::detail Generating docs for namespace RDKit::Chirality Generating docs for compound RDKit::Chirality::StereoInfo... Generating docs for compound RDKit::Chirality::BondWedgingParameters... Generating docs for compound RDKit::Chirality::WedgeInfoBase... Generating docs for compound RDKit::Chirality::WedgeInfoChiral... Generating docs for compound RDKit::Chirality::WedgeInfoAtropisomer... Generating docs for namespace RDKit::Chirality::detail Generating docs for namespace RDKit::CIPLabeler Generating docs for compound RDKit::CIPLabeler::AtropisomerBond... Generating docs for compound RDKit::CIPLabeler::CIPMol... Generating docs for compound RDKit::CIPLabeler::CIPMolSpan< T, U >... Generating docs for nested compound RDKit::CIPLabeler::CIPMolSpan< T, U >::CIPMolIter... Generating docs for compound RDKit::CIPLabeler::Configuration... Generating docs for compound RDKit::CIPLabeler::Digraph... Generating docs for compound RDKit::CIPLabeler::Edge... Generating docs for compound RDKit::CIPLabeler::FractionalAtomicNum... Generating docs for compound RDKit::CIPLabeler::MaxIterationsExceeded... Generating docs for compound RDKit::CIPLabeler::Node... Generating docs for compound RDKit::CIPLabeler::PairList... Generating docs for compound RDKit::CIPLabeler::Priority... Generating docs for compound RDKit::CIPLabeler::Rule1a... Generating docs for compound RDKit::CIPLabeler::Rule1b... Generating docs for compound RDKit::CIPLabeler::Rule2... Generating docs for compound RDKit::CIPLabeler::Rule3... Generating docs for compound RDKit::CIPLabeler::Rule4a... Generating docs for compound RDKit::CIPLabeler::Rule4b... Generating docs for compound RDKit::CIPLabeler::Rule4c... Generating docs for compound RDKit::CIPLabeler::Rule5... Generating docs for compound RDKit::CIPLabeler::Rule5New... Generating docs for compound RDKit::CIPLabeler::Rule6... Generating docs for compound RDKit::CIPLabeler::Rules... Generating docs for compound RDKit::CIPLabeler::SequenceRule... Generating docs for compound RDKit::CIPLabeler::Sort... Generating docs for compound RDKit::CIPLabeler::Sp2Bond... Generating docs for compound RDKit::CIPLabeler::Tetrahedral... Generating docs for compound RDKit::CIPLabeler::TooManyNodesException... Generating docs for namespace RDKit::CIPLabeler_detail Generating docs for namespace RDKit::common_properties Generating docs for namespace RDKit::constants Generating docs for namespace RDKit::Deprotect Generating docs for compound RDKit::Deprotect::DeprotectData... Generating docs for namespace RDKit::Descriptors Generating docs for compound RDKit::Descriptors::CrippenParamCollection... Generating docs for compound RDKit::Descriptors::CrippenParams... Generating docs for compound RDKit::Descriptors::DoubleCubicLatticeVolume... Generating docs for compound RDKit::Descriptors::Properties... Generating docs for compound RDKit::Descriptors::PropertyFunctor... Generating docs for namespace RDKit::Descriptors::detail Generating docs for namespace RDKit::detail Generating docs for compound RDKit::detail::MCSParametersInternal... Generating docs for compound RDKit::detail::RecursiveLocker... Generating docs for namespace RDKit::details Generating docs for namespace RDKit::DGeomHelpers Generating docs for compound RDKit::DGeomHelpers::Bounds... Generating docs for compound RDKit::DGeomHelpers::EmbedParameters... Generating docs for compound RDKit::DGeomHelpers::InternalCoordinates... Generating docs for compound RDKit::DGeomHelpers::Path14Configuration... Generating docs for compound RDKit::DGeomHelpers::TorsionValue... Generating docs for namespace RDKit::DTags Generating docs for namespace RDKit::EnumerateStereoisomers Generating docs for compound RDKit::EnumerateStereoisomers::StereoEnumerationOptions... Generating docs for compound RDKit::EnumerateStereoisomers::StereoisomerEnumerator... Generating docs for namespace RDKit::EnumerateStereoisomers::details Generating docs for compound RDKit::EnumerateStereoisomers::details::Flipper... Generating docs for compound RDKit::EnumerateStereoisomers::details::AtomFlipper... Generating docs for compound RDKit::EnumerateStereoisomers::details::BondFlipper... Generating docs for compound RDKit::EnumerateStereoisomers::details::StereoGroupFlipper... Generating docs for compound RDKit::EnumerateStereoisomers::details::AtropisomerFlipper... Generating docs for namespace RDKit::EnumerationStrategyPickler Generating docs for namespace RDKit::EnumerationTypes Generating docs for namespace RDKit::FileParsers Generating docs for namespace RDKit::FileParsers::schrodinger Generating docs for namespace RDKit::FileParserUtils Generating docs for namespace RDKit::FilterMatchOps Generating docs for compound RDKit::FilterMatchOps::And... Generating docs for compound RDKit::FilterMatchOps::Or... Generating docs for compound RDKit::FilterMatchOps::Not... Generating docs for namespace RDKit::FMCS Generating docs for compound RDKit::FMCS::Composition2N... Generating docs for compound RDKit::FMCS::DuplicatedSeedCache... Generating docs for nested compound RDKit::FMCS::DuplicatedSeedCache::TKey... Generating docs for compound RDKit::FMCS::ExecStatistics... Generating docs for compound RDKit::FMCS::Graph... Generating docs for compound RDKit::FMCS::MaximumCommonSubgraph... Generating docs for compound RDKit::FMCS::MolFragment... Generating docs for compound RDKit::FMCS::NewBond... Generating docs for compound RDKit::FMCS::Seed... Generating docs for compound RDKit::FMCS::SeedSet... Generating docs for compound RDKit::FMCS::SubstructureCache... Generating docs for nested compound RDKit::FMCS::SubstructureCache::KeyNumericMetrics... Generating docs for nested compound RDKit::FMCS::SubstructureCache::HashKey... Generating docs for compound RDKit::FMCS::Target... Generating docs for compound RDKit::FMCS::TargetMatch... Generating docs for compound RDKit::FMCS::TArray2D< T >... Generating docs for namespace RDKit::ForceFieldsHelper Generating docs for namespace RDKit::ForceFieldsHelper::detail Generating docs for namespace RDKit::GaussianShape Generating docs for compound RDKit::GaussianShape::CustomFeature... Generating docs for compound RDKit::GaussianShape::ShapeInput... Generating docs for compound RDKit::GaussianShape::ShapeInputOptions... Generating docs for compound RDKit::GaussianShape::ShapeOverlayOptions... Generating docs for compound RDKit::GaussianShape::SingleConformerAlignment... Generating docs for namespace RDKit::GeneralizedSubstruct Generating docs for compound RDKit::GeneralizedSubstruct::ExtendedQueryMol... Generating docs for namespace RDKit::GeneralMolSupplier Generating docs for compound RDKit::GeneralMolSupplier::SupplierOptions... Generating docs for namespace RDKit::GenericGroups Generating docs for namespace RDKit::GenericGroups::Matchers Generating docs for namespace RDKit::Local Generating docs for namespace RDKit::MACCSFingerprints Generating docs for namespace RDKit::MHFPFingerprints Generating docs for compound RDKit::MHFPFingerprints::MHFPEncoder... Generating docs for namespace RDKit::MHFPFingerprints::FNV Generating docs for namespace RDKit::MMFF Generating docs for compound RDKit::MMFF::MMFFAtomProperties... Generating docs for compound RDKit::MMFF::MMFFMolProperties... Generating docs for namespace RDKit::MMFF::DefaultParameters Generating docs for namespace RDKit::MMFF::Tools Generating docs for compound RDKit::MMFF::Tools::DefaultTorsionBondSmarts... Generating docs for namespace RDKit::MMPA Generating docs for namespace RDKit::MMPA::detail Generating docs for namespace RDKit::MolAlign Generating docs for compound RDKit::MolAlign::BestAlignmentParams... Generating docs for compound RDKit::MolAlign::LAP... Generating docs for compound RDKit::MolAlign::MolAlignException... Generating docs for compound RDKit::MolAlign::MolHistogram... Generating docs for compound/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMol.h:45: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMol::DrawMol(const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour > > *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMol.h:45: warning: The following parameters of RDKit::MolDraw2D_detail::DrawMol::DrawMol(const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour > > *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) are not documented: parameter 'bondColours' parameter 'highlight_radii' parameter 'includeAnnotations' parameter 'isReactionMol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.h:28: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCH::DrawMolMCH(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCH.h:28: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCH::DrawMolMCH(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h:24: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::DrawMolMCHCircleAndLine(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h:24: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::DrawMolMCHCircleAndLine(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h:36: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCHLasso::DrawMolMCHLasso(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h:36: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCHLasso::DrawMolMCHLasso(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/MolEnumerator.h:263: warning: The following parameter of RDKit::MolEnumerator::enumerate(const ROMol &mol, size_t maxPerOperation=0) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/MolInterchange.h:84: warning: The following parameter of RDKit::MolInterchange::MolsToJSONData(const std::vector< T > &mols, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/MolInterchange.h:93: warning: The following parameter of RDKit::MolInterchange::MolToJSONData(const T &mol, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:354: warning: The following parameters of RDKit::MolOps::mergeQueryHs(const ROMol &mol, bool mergeUnmappedOnly=false, bool mergeIsotopes=false) are not documented: parameter 'mergeUnmappedOnly' parameter 'mergeIsotopes' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:1434: warning: argument 'addAsQueries' of command @param is not found in the argument list of RDKit::MolOps::details::addExplicitAttachmentPoint(RWMol &mol, unsigned int atomIdx, unsigned int val, bool addAsQuery=true, bool addCoords=true) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolOps.h:1434: warning: The following parameter of RDKit::MolOps::details::addExplicitAttachmentPoint(RWMol &mol, unsigned int atomIdx, unsigned int val, bool addAsQuery=true, bool addCoords=true) is not documented: parameter 'addAsQuery' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:223: warning: argument countSimulation from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:223: warning: argument includeChirality from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:223: warning: argument onlyNonzeroInvariants from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:223: warning: too many @param commands for function RDKit::MorganFingerprint::getMorganGenerator. Found 15 while function has 12 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:288: warning: argument countSimulation from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:288: warning: argument includeChirality from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:288: warning: argument onlyNonzeroInvariants from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:288: warning: too many @param commands for function RDKit::MorganFingerprint::getMorganGenerator. Found 14 while function has 11 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganGenerator.h:187: warning: The following parameter of RDKit::MorganFingerprint::MorganAtomEnv::MorganAtomEnv(const std::uint32_t code, const unsigned int atomId, const unsigned int layer, const ROMol *mol) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h:136: warning: The following parameters of RDKit::MorganFingerprint::MorganAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' RDKit::MolAlign::O3A... Generating docs for compound RDKit::MolAlign::O3AConstraint... Generating docs for compound RDKit::MolAlign::O3AConstraintVect... Generating docs for compound RDKit::MolAlign::O3AFuncData... Generating docs for compound RDKit::MolAlign::SDM... Generating docs for namespace RDKit::MolAlign::details Generating docs for namespace RDKit::MolDraw2D_detail Generating docs for compound RDKit::MolDraw2D_detail::AtomSymbol... Generating docs for compound RDKit::MolDraw2D_detail::DrawAnnotation... Generating docs for compound RDKit::MolDraw2D_detail::DrawMol... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCH... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHLasso... Generating docs for compound RDKit::MolDraw2D_detail::DrawShape... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArc... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArrow... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeDashedWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeEllipse... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapePolyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSimpleLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSolidWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeWavyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawText... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTSVG... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextNotFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextSVG... Generating docs for compound RDKit::MolDraw2D_detail::LinePair... Generating docs for compound RDKit::MolDraw2D_detail::Point2D... Generating docs for compound RDKit::MolDraw2D_detail::SGroupDataLabel... Generating docs for compound RDKit::MolDraw2D_detail::StringRect... Generating docs for namespace RDKit::MolDraw2DUtils Generating docs for compound RDKit::MolDraw2DUtils::ContourParams... Generating docs for namespace RDKit::MolEnumerator Generating docs for compound RDKit::MolEnumerator::LinkNode... Generating docs for compound RDKit::MolEnumerator::LinkNodeOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorParams... Generating docs for compound RDKit::MolEnumerator::PositionVariationOp... Generating docs for compound RDKit::MolEnumerator::RepeatUnitOp... Generating docs for namespace RDKit::MolEnumerator::detail Generating docs for namespace RDKit::MolEnumerator::utils Generating docs for namespace RDKit::MolFragmenter Generating docs for compound RDKit::MolFragmenter::FragmenterBondType... Generating docs for namespace RDKit::MolHash Generating docs for namespace RDKit::MolInterchange Generating docs for compound RDKit::MolInterchange::JSONParseParameters... Generating docs for compound RDKit::MolInterchange::JSONWriteParameters... Generating docs for namespace RDKit::MolOps Generating docs for compound RDKit::MolOps::AddHsParameters... Generating docs for compound RDKit::MolOps::RemoveHsParameters... Generating docs for compound RDKit::MolOps::AdjustQueryParameters... Generating docs for compound RDKit::MolOps::Hybridizations... Generating docs for namespace RDKit::MolOps::details Generating docs for namespace RDKit::MolProcessing Generating docs for namespace RDKit::MolProcessing::details Generating docs for namespace RDKit::MolShapes Generating docs for namespace RDKit::MolStandardize Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogEntry... Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogParams... Generating docs for compound RDKit::MolStandardize::AllowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::ChargeCorrection... Generating docs for compound RDKit::MolStandardize::CleanupParameters... Generating docs for compound RDKit::MolStandardize::CompositeValidation... Generating docs for compound RDKit::MolStandardize::DisallowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::DisallowedRadicalValidation... Generating docs for compound RDKit::MolStandardize::FeaturesValidation... Generating docs for compound RDKit::MolStandardize::FragmentCatalogEntry... Generating docs for compound RDKit::MolStandardize::FragmentCatalogParams... Generating docs for compound RDKit::MolStandardize::FragmentRemover... Generating docs for compound RDKit::MolStandardize::FragmentValidation... Generating docs for compound RDKit::MolStandardize::Is2DValidation... Generating docs for compound RDKit::MolStandardize::IsotopeValidation... Generating docs for compound RDKit::MolStandardize::LargestFragmentChooser... Generating docs for nested compound RDKit::MolStandardize::LargestFragmentChooser::Largest... Generating docs for compound RDKit::MolStandardize::Layout2DValidation... Generating docs for compound RDKit::MolStandardize::MetalDisconnector... Generating docs for compound RDKit::MolStandardize::MetalDisconnectorOptions... Generating docs for compound RDKit::MolStandardize::MolVSValidation... Generating docs for compound RDKit::MolStandardize::NeutralValidation... Generating docs for compound RDKit::MolStandardize::NoAtomValidation... Generating docs for compound RDKit::MolStandardize::Normalizer... Generating docs for compound RDKit::MolStandardize::Pipeline... Generating docs for compound RDKit::MolStandardize::PipelineLogEntry... Generating docs for compound RDKit::MolStandardize::PipelineOptions... Generating docs for compound RDKit::MolStandardize::PipelineResult... Generating docs for compound RDKit::MolStandardize::RDKitValidation... Generating docs for compound RDKit::MolStandardize::Reionizer... Generating docs for compound RDKit::MolStandardize::StereoValidation... Generating docs for compound RDKit::MolStandardize::Tautomer... Generating docs for compound RDKit::MolStandardize::TautomerCatalogEntry... Generating docs for compound RDKit::MolStandardize::TautomerCatalogParams... Generating docs for compound RDKit::MolStandardize::TautomerEnumerator... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorCallback... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorResult... Generating docs for nested compound RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator... Generating docs for compound RDKit::MolStandardize::TautomerTransform... Generating docs for compound RDKit::MolStandardize::TransformCatalogEntry... Generating docs for compound RDKit::MolStandardize::TransformCatalogParams... Generating docs for compound RDKit::MolStandardize::Uncharger... Generating docs for compound RDKit::MolStandardize::ValidationMethod... Generating docs for namespace RDKit::MolStandardize::defaults Generating docs for namespace RDKit::MolStandardize::detail Generating docs for namespace RDKit::MolStandardize::Operations Generating docs for namespace RDKit::MolStandardize::TautomerScoringFunctions Generating docs for compound RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm... Generating docs for namespace RDKit::MorganFingerprint Generating docs for compound RDKit::MorganFingerprint::MorganAtomInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganBondInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganArguments... Generating docs for compound RDKit::MorganFingerprint::MorganAtomEnv< OutputType >... Gene/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/MorganFingerprints.h:117: warning: The following parameter of RDKit::MorganFingerprints::getHashedFingerprint(const ROMol &mol, unsigned int radius, unsigned int nBits=2048, std::vector< boost::uint32_t > *invariants=nullptr, const std::vector< boost::uint32_t > *fromAtoms=nullptr, bool useChirality=false, bool useBondTypes=true, bool onlyNonzeroInvariants=false, BitInfoMap *atomsSettingBits=nullptr, bool includeRedundantEnvironments=false) is not documented: parameter 'nBits' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h:136: warning: The following parameters of RDKit::RDKitFP::RDKitFPAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/ReducedGraphs.h:26: warning: The following parameter of RDKit::ReducedGraphs::generateMolExtendedReducedGraph(const ROMol &mol, std::vector< boost::dynamic_bitset<> > *atomTypes=nullptr) is not documented: parameter 'atomTypes' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/SanitizeRxn.h:129: warning: argument 'operationThatFailed' of command @param is not found in the argument list of RDKit::RxnOps::sanitizeRxn(ChemicalReaction &rxn, unsigned int &operationsThatFailed, unsigned int sanitizeOps=SANITIZE_ALL, const MolOps::AdjustQueryParameters ¶ms=DefaultRxnAdjustParams()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/SanitizeRxn.h:129: warning: The following parameters of RDKit::RxnOps::sanitizeRxn(ChemicalReaction &rxn, unsigned int &operationsThatFailed, unsigned int sanitizeOps=SANITIZE_ALL, const MolOps::AdjustQueryParameters ¶ms=DefaultRxnAdjustParams()) are not documented: parameter 'operationsThatFailed' parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SmilesParse/SmilesWrite.h:98: warning: argument 'bondIn' of command @param is not found in the argument list of RDKit::SmilesWrite::GetAtomSmiles(const Atom *atom, bool doKekule=false, const Bond *=nullptr, bool allHsExplicit=false, bool isomericSmiles=true) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:453: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::buildSynthonFingerprints(const FingerprintGenerator< std::uint64_t > &fpGen, unsigned int progressBarWidth=0) is not documented: parameter 'progressBarWidth' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:463: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::buildSynthonShapes(bool &cancelled, ShapeBuildParams &shapeBuildParams) is not documented: parameter 'cancelled' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:384: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(const std::string &inFilename, bool &cancelled) is not documented: parameter 'cancelled' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:99: warning: argument 'useCountSimulation' of command @param is not found in the argument list of RDKit::TopologicalTorsion::getTopologicalTorsionGenerator(bool includeChirality=false, uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=true, std::uint32_t fpSize=2048, std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, bool ownsAtomInvGen=false) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:99: warning: The following parameter of RDKit::TopologicalTorsion::getTopologicalTorsionGenerator(bool includeChirality=false, uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=true, std::uint32_t fpSize=2048, std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, bool ownsAtomInvGen=false) is not documented: parameter 'countSimulation' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:34: warning: argument 'useCountSimulation' of command @param is not found in the argument list of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality=false, const uint32_t torsionAtomCount=4, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:34: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality=false, const uint32_t torsionAtomCount=4, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048) is not documented: parameter 'countSimulation' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:70: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::TopologicalTorsionAtomEnv(OutputType bitId, INT_VECT atomPath) is not documented: parameter 'atomPath' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/FingerprintGenerator.h:136: warning: The following parameters of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h:150: warning: argument 'fileName' of command @param is not found in the argument list of RDKit::v1::CDXMLFileToMols(const std::string &filename, bool sanitize=true, bool removeHs=true) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h:150: warning: The following parameter of RDKit::v1::CDXMLFileToMols(const std::string &filename, bool sanitize=true, bool removeHs=true) is not documented: parameter 'filename' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParsers.h:120: warning: argument line from the argument list of RDKit::v1::MolDataStreamToMol has multiple @param documentation sections /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/FileParsers.h:120: warning: too many @param commands for function RDKit::v1::MolDataStreamToMol. Found 6 while function has 5 parameters /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h:73: warning: argument 'fileName' of command @param is not found in the argument list of RDKit::v2::CDXMLParser::MolsFromCDXMLFile(const std::string &filename, const CDXMLParserParams ¶ms=CDXMLParserParams(true, true, CDXMLFormat::Auto)) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/CDXMLParser.h:73: warning: The following parameter of RDKit::v2::CDXMLParser::MolsFromCDXMLFile(const std::string &filename, const CDXMLParserParams ¶ms=CDXMLParserParams(true, true, CDXMLFormat::Auto)) is not documented: parameter 'filename' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:373: warning: argument 'sanitize' of command @param is not found in the argument list of RDKit::v2::FileParsers::SDMolSupplier::SDMolSupplier(const std::string &fileName, const MolFileParserParams ¶ms=MolFileParserParams()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:373: warning: argument 'removeHs' of command @param is not found in the argument list of RDKit::v2::FileParsers::SDMolSupplier::SDMolSupplier(const std::string &fileName, const MolFileParserParams ¶ms=MolFileParserParams()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:373: warning: argument 'strictParsing' of command @param is not found in the argument list of RDKit::v2::FileParsers::SDMolSupplier::SDMolSupplier(const std::string &fileName, const MolFileParserParams ¶ms=MolFileParserParams()) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:373: warning: The following parameter of RDKit::v2::FileParsers::SDMolSupplier::SDMolSupplier(const std::string &fileName, const MolFileParserParams ¶ms=MolFileParserParams()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/FileParsers/MolSupplier.h:373: warning: too many @param commands for function RDKit::v2::FileParsers::SDMolSupplier::SDMolSupplier. Found 4 while function has 2 parameters rating docs for compound RDKit::MorganFingerprint::MorganEnvGenerator< OutputType >... Generating docs for namespace RDKit::MorganFingerprints Generating docs for compound RDKit::MorganFingerprints::ss_matcher... Generating docs for namespace RDKit::PicklerOps Generating docs for namespace RDKit::PNGData Generating docs for namespace RDKit::QueryOps Generating docs for namespace RDKit::RascalMCES Generating docs for compound RDKit::RascalMCES::PartitionSet... Generating docs for compound RDKit::RascalMCES::RascalClusterOptions... Generating docs for compound RDKit::RascalMCES::RascalOptions... Generating docs for compound RDKit::RascalMCES::RascalResult... Generating docs for namespace RDKit::RascalMCES::details Generating docs for compound RDKit::RascalMCES::details::ClusNode... Generating docs for namespace RDKit::RDKitFP Generating docs for compound RDKit::RDKitFP::RDKitFPArguments... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomInvGenerator... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >... Generating docs for compound RDKit::RDKitFP::RDKitFPEnvGenerator< OutputType >... Generating docs for namespace RDKit::RDKitFPUtils Generating docs for namespace RDKit::RDTypeTag Generating docs for namespace RDKit::RDTypeTag::detail Generating docs for compound RDKit::RDTypeTag::detail::Value... Generating docs for namespace RDKit::ReactionRunnerUtils Generating docs for namespace RDKit::ReducedGraphs Generating docs for namespace RDKit::RxnOps Generating docs for namespace RDKit::ScaffoldNetwork Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetworkParams... Generating docs for compound RDKit::ScaffoldNetwork::NetworkEdge... Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetwork... Generating docs for namespace RDKit::ScaffoldNetwork::detail Generating docs for namespace RDKit::SGroupParsing Generating docs for namespace RDKit::SGroupWriting Generating docs for namespace RDKit::SLNParse Generating docs for compound RDKit::SLNParse::AttribType... Generating docs for namespace RDKit::SmartsWrite Generating docs for namespace RDKit::SmilesParse Generating docs for compound RDKit::SmilesParse::SmilesParseException... Generating docs for namespace RDKit::SmilesWrite Generating docs for namespace RDKit::SmilesWrite::detail Generating docs for namespace RDKit::StructureCheck Generating docs for compound RDKit::StructureCheck::AugmentedAtom... Generating docs for compound RDKit::StructureCheck::ChargeFix... Generating docs for compound RDKit::StructureCheck::IncEntry... Generating docs for compound RDKit::StructureCheck::Ligand... Generating docs for compound RDKit::StructureCheck::Neighbourhood... Generating docs for compound RDKit::StructureCheck::PathEntry... Generating docs for compound RDKit::StructureCheck::StructChecker... Generating docs for compound RDKit::StructureCheck::StructCheckerOptions... Generating docs for compound RDKit::StructureCheck::StructCheckTautomer... Generating docs for namespace RDKit::Subgraphs Generating docs for namespace RDKit::SubstanceGroupChecks Generating docs for namespace RDKit::SynthonSpaceSearch Generating docs for compound RDKit::SynthonSpaceSearch::hash_address_pair... Generating docs for compound RDKit::SynthonSpaceSearch::SampleMolRec... Generating docs for compound RDKit::SynthonSpaceSearch::SearchResults... Generating docs for compound RDKit::SynthonSpaceSearch::ShapeBuildParams... Generating docs for compound RDKit::SynthonSpaceSearch::Synthon... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonShapeInput... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpace... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceHitSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceShapeSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher... Generating docs for namespace RDKit::SynthonSpaceSearch::details Generating docs for compound RDKit::SynthonSpaceSearch::details::MemoryMappedFileReader... Generating docs for compound RDKit::SynthonSpaceSearch::details::Stepper... Generating docs for namespace RDKit::TopologicalTorsion Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionArguments... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >... Generating docs for namespace RDKit::UFF Generating docs for namespace RDKit::UFF::Tools Generating docs for compound RDKit::UFF::Tools::DefaultTorsionBondSmarts... Generating docs for namespace RDKit::Utils Generating docs for compound RDKit::Utils::LocaleSwitcher... Generating docs for namespace RDKit::Utils::detail Generating docs for namespace RDKit::v1 Generating docs for compound RDKit::v1::ForwardSDMolSupplier... Generating docs for compound RDKit::v1::MolFileUnhandledFeatureException... Generating docs for compound RDKit::v1::MolSupplier... Generating docs for compound RDKit::v1::PDBParserParams... Generating docs for compound RDKit::v1::SDMolSupplier... Generating docs for compound RDKit::v1::SmartsParserParams... Generating docs for compound RDKit::v1::SmilesMolSupplier... Generating docs for compound RDKit::v1::SmilesParseException... Generating docs for compound RDKit::v1::SmilesParserParams... Generating docs for compound RDKit::v1::TDTMolSupplier... Generating docs for namespace RDKit::v2 Generating docs for namespace RDKit::v2::CDXMLParser Generating docs for compound RDKit::v2::CDXMLParser::CDXMLParserParams... Generating docs for namespace RDKit::v2::FileParsers Generating docs for compound RDKit::v2::FileParsers::ForwardSDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::ForwardSupplierIter< Supplier >... Generating docs for compound RDKit::v2::FileParsers::Mol2ParserParams... Generating docs for compound RDKit::v2::FileParsers::MolFileParserParams... Generating docs for compound RDKit::v2::FileParsers::MolFileUnhandledFeatureException... Generating docs for compound RDKit::v2::FileParsers::MolFromSCSRParams... Generating docs for compound RDKit::v2::FileParsers::MolSupplier... Generating docs for compound RDKit::v2::FileParsers::PDBParserParams... Generating docs for compound RDKit::v2::FileParsers::RandomAccessSupplierIter< Supplier >... Generating docs for compound RDKit::v2::FileParsers::SDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplier... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplier... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::TPLParserParams... Generating docs for namespace RDKit::v2::MarvinParser Generating docs for compound RDKit::v2::MarvinParser::MrvParserParams... Generating docs for namespace RDKit::v2::ReactionParser Generating docs for compound RDKit::v2::ReactionParser::ReactionSmartsParserParams... Generating docs for namespace RDKit::v2::SmilesParse Generating docs for compound RDKit::v2::SmilesParse::SmilesParserParams... Generating docs for compound RDKit::v2::SmilesParse::SmartsParserParams... Generating docs for compound RDKit::v2::SmilesParse::SmilesParseException... Generating docs for namespace RDLog Generating docs for compound RDLog::LogStateSetter... Generating docs for compound RDLog::CaptureLog... Generating docs for compound RDLog::CaptureErrorLog... Generating docs for namespace R/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:117: warning: argument 'pos' of command @param is not found in the argument list of RDMIF::Coulomb::Coulomb(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:117: warning: The following parameter of RDMIF::Coulomb::Coulomb(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0) is not documented: parameter 'positions' /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:220: warning: argument 'pos' of command @param is not found in the argument list of RDMIF::CoulombDielectric::CoulombDielectric(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0, double epsilon=80.0, double xi=4.0) /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:220: warning: The following parameter of RDMIF::CoulombDielectric::CoulombDielectric(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0, double epsilon=80.0, double xi=4.0) is not documented: parameter 'positions' /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/HierarchicalClusterPicker.h:48: warning: The following parameter of RDPickers::HierarchicalClusterPicker::pick(const double *distMat, unsigned int poolSize, unsigned int pickSize) const is not documented: parameter 'distMat' /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h:48: warning: argument 'firstPicks' of command @param is not found in the argument list of RDPickers::LeaderPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h:48: warning: argument 'seed' of command @param is not found in the argument list of RDPickers::LeaderPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h:48: warning: too many @param commands for function RDPickers::LeaderPicker::lazyPick. Found 5 while function has 3 parameters /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/LeaderPicker.h:87: warning: The following parameters of RDPickers::LeaderPicker::pick(const double *distMat, unsigned int poolSize, unsigned int pickSize, const RDKit::INT_VECT &firstPicks, double threshold, int nthreads) const are not documented: parameter 'threshold' parameter 'nthreads' /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.h:44: warning: argument 'firstPicks' of command @param is not found in the argument list of RDPickers::MaxMinPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.h:44: warning: argument 'seed' of command @param is not found in the argument list of RDPickers::MaxMinPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/MaxMinPicker.h:44: warning: too many @param commands for function RDPickers::MaxMinPicker::lazyPick. Found 5 while function has 3 parameters DMIF Generating docs for compound RDMIF::Coulomb... Generating docs for compound RDMIF::CoulombDielectric... Generating docs for compound RDMIF::VdWaals... Generating docs for compound RDMIF::MMFFVdWaals... Generating docs for compound RDMIF::UFFVdWaals... Generating docs for compound RDMIF::HBond... Generating docs for compound RDMIF::Hydrophilic... Generating docs for namespace RDNumeric Generating docs for compound RDNumeric::Matrix< TYPE >... Generating docs for compound RDNumeric::SquareMatrix< TYPE >... Generating docs for compound RDNumeric::SymmMatrix< TYPE >... Generating docs for compound RDNumeric::Vector< TYPE >... Generating docs for namespace RDNumeric::Alignments Generating docs for namespace RDNumeric::EigenSolvers Generating docs for namespace RDPickers Generating docs for compound RDPickers::DistPicker... Generating docs for compound RDPickers::HierarchicalClusterPicker... Generating docs for compound RDPickers::LeaderPicker... Generating docs for compound RDPickers::LeaderPickerState< T >... Generating docs for compound RDPickers::MaxMinPicker... Generating docs for compound RDPickers::MaxMinPickInfo... Generating docs for namespace RingUtils Generating docs for namespace SmilesParseOps Generating docs for namespace SmilesParseOps::detail Generating graph info page... Generating directory documentation... Generating index page... Generating page index... Generating topic index... Generating module index... Generating module member index... Generating namespace index... Generating namespace member index... Generating concept index... Generating annotated compound index... Generating alphabetical compound index... Generating hierarchical class index... Generating member index... Generating file index... Generating file member index... Generating example index... finalizing index lists... writing tag file... Running plantuml with JAVA... Running mermaid (mmdc)... type lookup cache used 18398/65536 hits=73545 misses=23530 symbol lookup cache used 34498/65536 hits=234907 misses=34498 finished... (cd /build/reproducible-path/rdkit-202609.1/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202609.1 /usr/bin/make html) make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/Docs/Book' mkdir -p _build/html/cppapi cp -r /build/reproducible-path/rdkit-202609.1/Code/docs/* _build/html/cppapi cp -r C++Examples _build/html/ sphinx-build -b html -d _build/doctrees . _build/html Running Sphinx v9.2.0 loading translations [en]... done WARNING: html_static_path entry '_static' does not exist myst v5.1.0: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions=set(), disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, strikethrough_single_tilde=False, colon_fence_exact_match=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 268 source files that are out of date updating environment: [new config] 268 added, 0 changed, 0 removed reading sources... 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[autosectionlabel.Overview] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2836: WARNING: Title underline too short. Self-Contained Structure Representations (SCSR) for Macromolecules ******************* [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2939: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2943: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2948: WARNING: Title underline too short. Hydrogen Bonds ------- [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:3026: ERROR: Error in "image" directive: no content permitted. .. image:: images/WobbleRna.png Full Example of SCSR files: [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:3029: WARNING: Explicit markup ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:179: WARNING: duplicate label aromaticity, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:388: WARNING: duplicate label dative bonds, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:703: WARNING: duplicate label stereochemistry, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:1432: WARNING: duplicate label chemical features, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2635: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2733: WARNING: duplicate label rdkit fingerprints, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:2845: WARNING: duplicate label representation, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202609.1/Docs/Book/RDKit_Book.rst:3101: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/Overview.md [autosectionlabel.RDKit_Book] WARNING: autodoc: failed to import 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Avalon' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] WARNING: autodoc: failed to import 'Avalon.pyAvalonTools' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst:120: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] WARNING: autodoc: failed to import 'Chem.AllChem' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.AtomPairs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] WARNING: autodoc: failed to import 'Chem.AtomPairs.Pairs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.AtomPairs.Sheridan' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.AtomPairs.Torsions' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.AtomPairs.Utils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.BRICS' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.BuildFragmentCatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] WARNING: autodoc: failed to import 'Chem.ChemUtils.AlignDepict' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemUtils.BulkTester' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemUtils.DescriptorUtilities' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemUtils.SDFToCSV' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemUtils.TemplateExpand' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemicalFeatures' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ChemicalForceFields' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Crippen' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Descriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Descriptors3D' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Draw' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] WARNING: autodoc: failed to import 'Chem.Draw.IPythonConsole' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Draw.MolDrawing' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Draw.SimilarityMaps' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Draw.rdMolDraw2D' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Draw.rdMolDraw2DQt' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EState' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] WARNING: autodoc: failed to import 'Chem.EState.AtomTypes' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EState.EState' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EState.EState_VSA' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EState.Fingerprinter' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EnumerateHeterocycles' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.EnumerateStereoisomers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FastSDMolSupplier' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FeatFinderCLI' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FeatMaps' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] WARNING: autodoc: failed to import 'Chem.FeatMaps.FeatMapParser' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FeatMaps.FeatMapPoint' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FeatMaps.FeatMapUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FeatMaps.FeatMaps' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Features' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] WARNING: autodoc: failed to import 'Chem.Features.FeatDirUtilsRD' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Features.ShowFeats' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FilterCatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fingerprints' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] WARNING: autodoc: failed to import 'Chem.Fingerprints.ClusterMols' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fingerprints.DbFpSupplier' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fingerprints.FingerprintMols' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fingerprints.MolSimilarity' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fingerprints.SimilarityScreener' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fraggle' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] WARNING: autodoc: failed to import 'Chem.Fraggle.FraggleSim' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FragmentCatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FragmentMatcher' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Fragments' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.FunctionalGroups' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.GraphDescriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Graphs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Lipinski' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MACCSkeys' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolCatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolDb' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] WARNING: autodoc: failed to import 'Chem.MolDb.FingerprintUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolDb.Loader' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolDb.Loader_orig' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolDb.Loader_sa' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolKey' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] WARNING: autodoc: failed to import 'Chem.MolKey.InchiInfo' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolKey.MolKey' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolStandardize.rst:6: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.MolStandardize] WARNING: autodoc: failed to import 'Chem.MolStandardize.rdMolStandardize' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.MolSurf' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.PandasTools' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.PeriodicTable' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm2D' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolStandardize.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] WARNING: autodoc: failed to import 'Chem.Pharm2D.Generate' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm2D.Gobbi_Pharm2D' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm2D.Matcher' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm2D.SigFactory' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm2D.Utils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm3D' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] WARNING: autodoc: failed to import 'Chem.Pharm3D.EmbedLib' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm3D.ExcludedVolume' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Pharm3D.Pharmacophore' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.PropertyMol' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.PyMol' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.QED' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Randomize' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Recap' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ReducedGraphs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.RegistrationHash' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.SATIS' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.SaltRemover' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Scaffolds' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] WARNING: autodoc: failed to import 'Chem.Scaffolds.MurckoScaffold' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Scaffolds.rdScaffoldNetwork' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.ShowMols' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.SimpleEnum' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] WARNING: autodoc: failed to import 'Chem.SimpleEnum.Enumerator' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.SpacialScore' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Subshape' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] WARNING: autodoc: failed to import 'Chem.Subshape.BuilderUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Subshape.SubshapeAligner' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Subshape.SubshapeBuilder' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Subshape.SubshapeObjects' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Suppliers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] WARNING: autodoc: failed to import 'Chem.Suppliers.DbMolSupplier' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.Suppliers.MolSupplier' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.TemplateAlign' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.TorsionFingerprints' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.fmcs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] WARNING: autodoc: failed to import 'Chem.fmcs.fmcs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.inchi' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdAbbreviations' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdCIPLabeler' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdChemReactions' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdChemicalFeatures' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdCoordGen' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdDepictor' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdDeprotect' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdDetermineBonds' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdDistGeom' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdEHTTools' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdEnumerateStereoisomers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdFMCS' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdFingerprintGenerator' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdForceFieldHelpers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdFreeSASA' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdGaussianShape' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdGeneralizedSubstruct' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMHFPFingerprint' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMIF' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMMPA' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolAlign' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolCatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolChemicalFeatures' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolDescriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolEnumerator' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolHash' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolInterchange' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolProcessing' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdMolTransforms' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdPartialCharges' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdRGroupDecomposition' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdRascalMCES' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdReducedGraphs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdSLNParse' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdShapeAlign' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdShapeHelpers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdSubstructLibrary' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdSynthonSpaceSearch' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdTautomerQuery' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdchem' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdfiltercatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdfragcatalog' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdinchi' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdmolfiles' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdmolops' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdqueries' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Chem.rdtrajectory' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataManip' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip] WARNING: autodoc: failed to import 'DataManip.Metric' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.DataManip.Metric] WARNING: autodoc: failed to import 'DataManip.Metric.rdMetricMatrixCalc' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] WARNING: autodoc: failed to import 'DataStructs.BitEnsemble' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.BitEnsembleDb' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.BitUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.LazySignature' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.TopNContainer' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.VectCollection' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DataStructs.cDataStructs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] WARNING: autodoc: failed to import 'Dbase.DbConnection' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase.DbInfo' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase.DbModule' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase.DbResultSet' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase.DbUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Dbase.StorageUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'DistanceGeometry' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] WARNING: autodoc: failed to import 'DistanceGeometry.DistGeom' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ForceField.rst:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] WARNING: autodoc: failed to import 'ForceField' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.ForceField] WARNING: autodoc: failed to import 'ForceField.rdForceField' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Geometry' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ForceField.rst [autosectionlabel.source/rdkit.Geometry] WARNING: autodoc: failed to import 'Geometry.rdGeometry' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] WARNING: autodoc: failed to import 'ML.Cluster' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] WARNING: autodoc: failed to import 'ML.Cluster.Butina' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.ClusterUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.ClusterVis' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.Clustering' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.Clusters' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.Murtagh' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.Resemblance' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Cluster.Standardize' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] WARNING: autodoc: failed to import 'ML.Data.DataUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.FindQuantBounds' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.MLData' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.Quantize' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.SplitData' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.Stats' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.Transforms' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Data.cQuantize' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Descriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] WARNING: autodoc: failed to import 'ML.Descriptors.CompoundDescriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Descriptors.Descriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Descriptors.MoleculeDescriptors' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Descriptors.Parser' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.InfoTheory' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] WARNING: autodoc: failed to import 'ML.InfoTheory.BitClusterer' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.InfoTheory.BitRank' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.InfoTheory.entropy' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.InfoTheory.rdInfoTheory' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.MLUtils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] WARNING: autodoc: failed to import 'ML.MLUtils.VoteImg' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.MatOps' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.SLT' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] WARNING: autodoc: failed to import 'ML.SLT.Risk' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.Scoring' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] WARNING: autodoc: failed to import 'ML.Scoring.Scoring' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'ML.files' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'Numerics' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] WARNING: autodoc: failed to import 'Numerics.rdAlignment' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'RDConfig' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'RDLogger' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'RDPaths' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'RDRandom' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'SimDivFilters' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] WARNING: autodoc: failed to import 'SimDivFilters.SimilarityPickers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'SimDivFilters.rdSimDivPickers' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'TestRunner' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] WARNING: autodoc: failed to import 'VLib.Filter' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.Node' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] WARNING: autodoc: failed to import 'VLib.NodeLib.DbMolSupply' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.DbPickleSupplier' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SDSupply' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SmartsMolFilter' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SmartsRemover' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SmilesDupeFilter' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SmilesOutput' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.NodeLib.SmilesSupply' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.Output' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.Supply' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'VLib.Transform' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'rdBase' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'utils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] WARNING: autodoc: failed to import 'utils.cactvs' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'utils.chemutils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'utils.fileutils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'utils.listutils' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import 'utils.spiral' from module 'rdkit'; the following exception was raised: Traceback (most recent call last): File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 131, in _import_from_module_and_path module = _import_module(module_name, try_reload=True) File "/usr/lib/python3/dist-packages/sphinx/ext/autodoc/_dynamic/_importer.py", line 220, in _import_module raise ModuleNotFoundError(msg, name=modname) # ruff: ignore[raise-within-try] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/rdkit-202609.1/Docs/Book/data/README.md: WARNING: document isn't included in any toctree [toc.not_included] /build/reproducible-path/rdkit-202609.1/Docs/Book/source/rdkit.Chem.rdGaussianShape.rst: WARNING: document isn't included in any toctree [toc.not_included] done preparing documents... done copying assets... copying downloadable files... 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[ 98%] images/query_bonds.2.png copying images... [ 99%] images/query_atoms.png copying images... [ 99%] images/PeptideConversion.png copying images... [100%] images/DnaDoubleStrand.png dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 397 warnings. The HTML pages are in _build/html. Build finished. The HTML pages are in _build/html. make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/Docs/Book' # latexpdf build fails due to https://github.com/rdkit/rdkit/issues/8850 # (cd /build/reproducible-path/rdkit-202609.1/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202609.1 /usr/bin/make latexpdf) make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' for py in python3.15 python3.14; do \ cp -r rdkit build-$py/; \ PYTHONPATH=/build/reproducible-path/rdkit-202609.1/build-$py:/build/reproducible-path/rdkit-202609.1/build-$py/rdkit/Chem LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202609.1/build-$py/lib:" dh_auto_test --builddirectory=build-$py; \ done cd build-python3.15 && make -j8 test ARGS\+=--verbose ARGS\+=-j8 make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' Running tests... /usr/bin/ctest --timeout=7200 --verbose -j8 UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202609.1/build-python3.15/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202609.1/build-python3.15/DartConfiguration.tcl Test project /build/reproducible-path/rdkit-202609.1/build-python3.15 Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end Connected to MAKE jobserver test 1 Start 1: testCoordGen 1: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/External/CoordGen/testCoordGen 1: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/External/CoordGen 1: Test timeout computed to be: 7200 test 2 Start 2: pyCoordGen 2: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/External/CoordGen/Wrap/testCoordGen.py" 2: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/External/CoordGen/Wrap 2: Test timeout computed to be: 7200 test 3 Start 3: testDict 3: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/testDict 3: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral 3: Test timeout computed to be: 7200 test 4 Start 4: testRDValue 4: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/testRDValue 4: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral 4: Test timeout computed to be: 7200 test 5 Start 5: testConcurrentQueue 5: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/testConcurrentQueue 5: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral 5: Test timeout computed to be: 7200 test 6 Start 6: dictTestsCatch 6: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/dictTestsCatch 6: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral 6: Test timeout computed to be: 7200 test 7 Start 7: logTestsCatch 7: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral/logTestsCatch 7: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/RDGeneral 7: Test timeout computed to be: 7200 test 8 Start 8: testDataStructs 8: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/testDataStructs 8: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs 8: Test timeout computed to be: 7200 3: Randomness seeded to: 3435848599 3: static boost any:0.000492 s 4: Randomness seeded to: 525734706 4: min: -2147483648 -2147483648 4: min: 0 0 4: min: 2.22507e-308 2.22507e-308 4: min: 1.17549e-38 1.17549e-38 4: min: 0 0 4: =============================================================================== 4: All tests passed (79 assertions in 10 test cases) 4: 1/272 Test #4: testRDValue ............................ Passed 0.00 sec 6: Randomness seeded to: 525272411 6: =============================================================================== 6: All tests passed (40 assertions in 4 test cases) 6: test 9 Start 9: testFPB 9: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/testFPB 9: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs 9: Test timeout computed to be: 7200 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: Randomness seeded to: 3778181983 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] should not be silent 7: [14:22:09] after restore 7: [14:22:09] test warning 7: [14:22:09] should not be silent 2/272 Test #6: dictTestsCatch ......................... Passed 0.00 sec 7: =============================================================================== 7: All tests passed (44 assertions in 4 test cases) 7: test 10 Start 10: testMultiFPB 10: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/testMultiFPB 10: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs 10: Test timeout computed to be: 7200 3: dynamic boost any:0.002361 s 3: static RDAny:0.000191 s 3/272 Test #7: logTestsCatch .......................... Passed 0.00 sec test 11 Start 11: catchDataStructs 11: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/catchDataStructs 11: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs 11: Test timeout computed to be: 7200 3: dynamic RDAny:0.002371 s 3: static RDValue:0 s 3: dynamic RDValue:1e-06 s 8: Randomness seeded to: 2032974978 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 8: except 3: [14:22:09] done: 0.001911 300000 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 8: except 8: =============================================================================== 8: All tests passed (1057 assertions in 23 test cases) 8: 9: Randomness seeded to: 1737373718 9: =============================================================================== 9: All tests passed (632 assertions in 12 test cases) 9: 4/272 Test #8: testDataStructs ........................ Passed 0.01 sec test 12 Start 12: pyBV 12: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testBV.py" 12: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/Wrap 12: Test timeout computed to be: 7200 5/272 Test #9: testFPB ................................ Passed 0.01 sec test 13 Start 13: pyDiscreteValueVect 13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testDiscreteValueVect.py" 13: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/Wrap 13: Test timeout computed to be: 7200 11: Randomness seeded to: 3455850212 11: =============================================================================== 11: All tests passed (12 assertions in 2 test cases) 11: 3: [14:22:09] done: 0.00186 300000 6/272 Test #11: catchDataStructs ....................... Passed 0.01 sec test 14 Start 14: pyRealValueVect 14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testRealValueVect.py" 14: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/Wrap 14: Test timeout computed to be: 7200 10: Randomness seeded to: 2903856446 10: =============================================================================== 10: All tests passed (228 assertions in 7 test cases) 10: 3: [14:22:09] done: 0.001842 300000 7/272 Test #10: testMultiFPB ........................... Passed 0.01 sec test 15 Start 15: pySparseIntVect 15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testSparseIntVect.py" 15: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/Wrap 15: Test timeout computed to be: 7200 3: [14:22:09] done: 0.006862 300000 3: [14:22:09] done: 0.000319 300000 1: core 1: RDKit 2D 1: 1: 4 4 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 1 1 0 1: M END 1: 3: =============================================================================== 3: All tests passed (227 assertions in 10 test cases) 3: 8/272 Test #3: testDict ............................... Passed 0.02 sec 1: core+sidechain 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6496 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3926 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4726 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3396 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2048 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.3590 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.6160 0.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: test 16 Start 16: pyFPB 16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testFPB.py" 16: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataStructs/Wrap 16: Test timeout computed to be: 7200 1: templated 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.2846 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2790 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5898 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4530 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4476 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5788 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5732 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2956 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3012 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1700 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1590 0.7434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1534 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: 1.7868 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6532 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5187 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5180 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6515 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7860 -0.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9195 -0.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0539 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8124 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.6780 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5445 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4101 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.2764 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1421 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0547 0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9211 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 9 10 0 0 0 0 0 0 0 0999 V2000 1: 0.6718 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5374 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5366 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6702 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1954 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1946 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1454 -0.8098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7338 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1466 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 1 1 0 1: 9 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: -0.5657 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4321 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2977 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2969 -1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1625 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4329 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5673 1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5681 2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2975 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2975 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7969 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2991 0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2999 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2513 -0.7362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5609 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5393 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8923 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8381 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2499 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: 0.5360 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4020 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8300 3.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 -0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.5900 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9208 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5682 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8686 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: 1.2134 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3444 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5186 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3856 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: -1.7333 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8661 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8641 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0011 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8659 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8679 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7309 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: 1.2227 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3350 1.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5185 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3902 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2506 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4014 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: test1 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.3628 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5014 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3692 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2334 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1012 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3728 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5086 -0.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3594 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2234 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0912 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0948 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.9554 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 2 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 3 6 2 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 0 1: 10 12 1 0 1: 8 1 1 0 1: M END 1: 1: test2 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: -0.4980 0.7210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0004 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8678 -0.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5020 0.7182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8642 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 2 5 1 0 1: M END 1: 15: .......... 15: ---------------------------------------------------------------------- 15: Ran 10 tests in 0.008s 15: 15: OK 16: ......... 16: ---------------------------------------------------------------------- 16: Ran 9 tests in 0.004s 16: 16: OK 9/272 Test #15: pySparseIntVect ........................ Passed 0.15 sec test 17 Start 17: testTransforms 17: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/testTransforms 17: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry 17: Test timeout computed to be: 7200 10/272 Test #16: pyFPB .................................. Passed 0.14 sec test 18 Start 18: testGrid 18: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/testGrid 18: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry 18: Test timeout computed to be: 7200 17: Randomness seeded to: 3168483967 17: Pt1: 1 0 0 Pt2: 2 0 0 17: -Pt1: -1 -0 -0 17: tp1: 0 0 0 tp2: 0 0 0 17: tp1: 0 0 0 tp2: 0 0 0 17: tp1: 0 0 3 tp2: 0 0 3 17: npt1: 0 0 3 npt2: 0 0 4 17: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4 17: =============================================================================== 17: All tests passed (158 assertions in 7 test cases) 17: 11/272 Test #17: testTransforms ......................... Passed 0.01 sec test 19 Start 19: testRealValueGrid 19: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/testRealValueGrid 19: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry 19: Test timeout computed to be: 7200 18: Randomness seeded to: 2278503116 18: =============================================================================== 18: All tests passed (79 assertions in 5 test cases) 18: 12/272 Test #18: testGrid ............................... Passed 0.01 sec test 20 Start 20: geometryTestsCatch 20: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/geometryTestsCatch 20: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry 20: Test timeout computed to be: 7200 1: cyclosporine a 1: RDKit 2D 1: 1: 85 85 0 0 0 0 0 0 0 0999 V2000 1: 1.4840 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6174 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6176 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4860 -2.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4912 -3.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3504 -2.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3352 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1902 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1580 0.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0642 -1.2607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9260 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9144 0.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7766 0.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0008 0.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.8596 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.8162 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2038 1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2560 3.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5280 4.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7128 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8530 5.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7676 4.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0820 5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9744 4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8344 5.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9792 3.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8192 3.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7974 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7998 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7790 3.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8812 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1202 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.4194 2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.0590 0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8626 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8096 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6470 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.9122 -1.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8776 -2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9982 -2.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1382 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9886 -3.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1202 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2526 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6116 -4.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2494 -2.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1228 -5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2584 -5.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6092 -5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2624 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6018 -7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5982 -8.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4624 -8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9906 -5.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8520 -4.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7288 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7098 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6032 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.0646 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7362 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5794 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5618 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4498 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.1628 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7698 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5952 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4896 1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5292 3.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6054 3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7186 2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0328 6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4396 4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4580 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3220 6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5836 6.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2682 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.6630 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.5876 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.5648 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7968 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.6786 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 7.5218 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.7252 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0970 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2220 -2.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 3 2 1 1 1: 3 4 1 0 1: 4 5 2 0 1: 4 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 2 0 1: 8 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 2 0 1: 12 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 16 17 2 0 1: 16 18 1 0 1: 18 19 1 0 1: 19 20 1 0 1: 20 21 2 0 1: 20 22 1 0 1: 22 23 1 0 1: 23 24 1 0 1: 24 25 2 0 1: 24 26 1 0 1: 26 27 1 0 1: 27 28 1 0 1: 28 29 2 0 1: 28 30 1 0 1: 30 31 1 0 1: 31 32 1 0 1: 32 33 2 0 1: 32 34 1 0 1: 34 35 1 0 1: 35 36 1 0 1: 36 37 2 0 1: 36 38 1 0 1: 38 39 1 0 1: 39 40 1 0 1: 40 41 2 0 1: 40 42 1 0 1: 43 42 1 6 1: 43 44 1 0 1: 44 45 2 0 1: 44 46 1 0 1: 43 47 1 0 1: 47 48 1 0 1: 48 49 1 6 1: 48 50 1 0 1: 50 51 1 0 1: 51 52 2 0 1: 52 53 1 0 1: 47 54 1 1 1: 42 55 1 0 1: 39 56 1 6 1: 56 57 1 0 1: 56 58 1 0 1: 38 59 1 0 1: 35 60 1 6 1: 60 61 1 0 1: 61 62 1 0 1: 61 63 1 0 1: 34 64 1 0 1: 31 65 1 6 1: 65 66 1 0 1: 66 67 1 0 1: 66 68 1 0 1: 30 69 1 0 1: 27 70 1 6 1: 23 71 1 6 1: 19 72 1 6 1: 72 73 1 0 1: 73 74 1 0 1: 73 75 1 0 1: 18 76 1 0 1: 15 77 1 6 1: 77 78 1 0 1: 77 79 1 0 1: 11 80 1 6 1: 80 81 1 0 1: 81 82 1 0 1: 81 83 1 0 1: 10 84 1 0 1: 6 85 1 0 1: 46 3 1 0 1: M END 1: 20: Randomness seeded to: 3643394732 20: =============================================================================== 20: All tests passed (98 assertions in 6 test cases) 20: 13/272 Test #20: geometryTestsCatch ..................... Passed 0.01 sec 1: single-double 1: RDKit 2D 1: 1: 17 16 0 0 0 0 0 0 0 0999 V2000 1: -6.9282 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.0618 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1962 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.3298 0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4642 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5978 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7322 -0.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8658 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0002 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8662 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7318 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5982 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4638 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3302 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.1958 -0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.0622 0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.9278 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 2 3 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 3 1: 11 12 1 0 1: 12 13 2 3 1: 13 14 1 0 1: 14 15 2 3 1: 15 16 1 0 1: 16 17 1 0 1: M END 1: test 21 Start 21: testPyGeometry 21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/Geometry/Wrap/testGeometry.py" 21: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Geometry/Wrap 21: Test timeout computed to be: 7200 1: cis-trans 1: RDKit 2D 1: 1: 10 9 0 0 0 0 0 0 0 0999 V2000 1: -3.6370 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7706 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9050 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.0386 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1730 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6934 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5590 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5582 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.4238 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2902 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 2 0 1: 3 4 1 0 1: 4 5 2 0 1: 5 6 1 0 1: 6 7 2 0 1: 7 8 1 0 1: 8 9 2 0 1: 9 10 1 0 1: M END 1: 1: admntn 1: RDKit 2D 1: 1: 10 12 0 0 0 0 0 0 0 0999 V2000 1: 1.3505 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5267 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4629 -1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.7523 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4741 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4761 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3505 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.0611 0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0643 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1877 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 10 1 0 1: 8 1 1 0 1: 9 4 1 0 1: 10 2 1 0 1: M END 1: 19: Randomness seeded to: 1051428906 19: =============================================================================== 19: All tests passed (52 assertions in 4 test cases) 19: 14/272 Test #19: testRealValueGrid ...................... Passed 0.02 sec test 22 Start 22: testMatrices 22: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/testMatrices 22: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics 22: Test timeout computed to be: 7200 1: github 4845 - nan coordinates but no crash 1: RDKit 2D 1: 1: 42 44 0 0 0 0 0 0 0 0999 V2000 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 2 0 1: 4 5 1 0 1: 5 6 3 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 3 0 1: 10 11 1 0 1: 11 12 2 0 1: 12 13 1 0 1: 13 14 3 0 1: 14 15 1 0 1: 15 16 2 0 1: 16 17 1 0 1: 16 18 1 0 1: 12 19 1 0 1: 19 20 2 0 1: 20 21 1 0 1: 20 22 1 0 1: 19 23 1 0 1: 23 24 3 0 1: 24 25 1 0 1: 25 26 1 0 1: 26 27 2 0 1: 27 28 2 0 1: 26 29 1 0 1: 29 30 3 0 1: 8 31 1 0 1: 31 32 2 0 1: 32 33 1 0 1: 32 34 1 0 1: 31 35 1 0 1: 35 36 3 0 1: 36 37 1 0 1: 37 38 2 0 1: 37 39 1 0 1: 39 40 2 0 1: 40 41 1 0 1: 40 42 1 0 1: 39 4 1 0 1: 15 7 1 0 1: 30 11 1 0 1: M END 1: 22: Randomness seeded to: 3460657311 22: =============================================================================== 22: All tests passed (81 assertions in 4 test cases) 22: 15/272 Test #22: testMatrices ........................... Passed 0.00 sec test 23 Start 23: testConrec 23: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/testConrec 23: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics 23: Test timeout computed to be: 7200 23: Randomness seeded to: 3294213637 23: =============================================================================== 23: All tests passed (76 assertions in 3 test cases) 23: 16/272 Test #23: testConrec ............................. Passed 0.02 sec test 24 Start 24: testAlignment 24: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Alignment/testAlignment 24: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Alignment 24: Test timeout computed to be: 7200 17/272 Test #1: testCoordGen ........................... Passed 0.22 sec test 25 Start 25: pyAlignment 25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/Numerics/Alignment/Wrap/testAlignment.py" 25: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Alignment/Wrap 25: Test timeout computed to be: 7200 24: Randomness seeded to: 1379095034 24: =============================================================================== 24: All tests passed (26 assertions in 4 test cases) 24: 18/272 Test #24: testAlignment .......................... Passed 0.01 sec test 26 Start 26: testOptimizer 26: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Optimizer/testOptimizer 26: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Numerics/Optimizer 26: Test timeout computed to be: 7200 26: Randomness seeded to: 638893884 26: =============================================================================== 26: All tests passed (29 assertions in 3 test cases) 26: 19/272 Test #26: testOptimizer .......................... Passed 0.00 sec test 27 Start 27: ForceFieldsCatch 27: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/ForceFieldsCatch 27: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField 27: Test timeout computed to be: 7200 27: Randomness seeded to: 796739102 27: =============================================================================== 27: All tests passed (20 assertions in 2 test cases) 27: 20/272 Test #27: ForceFieldsCatch ....................... Passed 0.02 sec test 28 Start 28: testUFFForceField 28: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/UFF/testUFFForceField 28: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/UFF 28: Test timeout computed to be: 7200 13: ...... 13: ---------------------------------------------------------------------- 13: Ran 6 tests in 0.107s 13: 13: OK 14: ...... 14: ---------------------------------------------------------------------- 14: Ran 6 tests in 0.109s 14: 14: OK 28: ------------------------------------- 28: Unit tests for force field basics. 28: done 28: ------------------------------------- 28: Unit tests for basics of UFF bond-stretch terms. 28: done 28: ------------------------------------- 28: Unit tests for UFF bond-stretch terms. 28: done 28: ------------------------------------- 28: Unit tests for basics of UFF angle terms. 28: done 28: ------------------------------------- 28: Unit tests for UFF angle-bend terms. 28: theta = 3.14159; theta0 = 3.14159 28: theta = 2.094395, param1.theta0 = 2.094395 28: done 28: ------------------------------------- 28: Test Simple UFF molecule optimizations. 28: done 28: ------------------------------------- 28: Unit tests for UFF nonbonded terms. 28: done 28: ------------------------------------- 28: Test UFF torsional terms. 28: done 28: ------------------------------------- 28: Test UFF Parameter objects 28: ------------------------------------- 28: Test Simple UFF molecule optimization, part 2. 28: done 28: ------------------------------------- 28: Test UFF Torsion Conflicts. 28: C 0.4783 -0.7477 -0.0753 28: C -0.5465 -0.0176 0.3519 28: C -0.5114 1.4472 0.0870 28: H -1.5201 -0.4838 0.2485 28: H 0.4696 1.8363 0.3367 28: O -1.2618 1.9423 0.6934 28: F -0.7163 1.6298 -0.9622 28: done 28: ------------------------------------- 28: Unit tests for UFF distance constraint terms. 28: done 28: ------------------------------------- 28: Unit tests for all UFF constraint terms. 21/272 Test #13: pyDiscreteValueVect .................... Passed 0.27 sec test 29 Start 29: testMMFFForceField 29: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/MMFF/testMMFFForceField 29: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/MMFF 29: Test timeout computed to be: 7200 22/272 Test #14: pyRealValueVect ........................ Passed 0.28 sec test 30 Start 30: pyForceFieldConstraints 30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ForceField/Wrap/testConstraints.py" 30: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ForceField/Wrap 30: Test timeout computed to be: 7200 29: ------------------------------------- 29: Official MMFF validation suite. 2: .... 2: ---------------------------------------------------------------------- 2: Ran 4 tests in 0.026s 2: 2: OK 28: done 28: ------------------------------------- 28: Unit tests for copying UFF ForceFields. 28: done 28: ------------------------------------- 28: Unit test for UFF butane scan. 23/272 Test #2: pyCoordGen ............................. Passed 0.36 sec test 31 Start 31: testDistGeom 31: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom/testDistGeom 31: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom 31: Test timeout computed to be: 7200 21: .................... 21: ---------------------------------------------------------------------- 21: Ran 20 tests in 0.044s 21: 21: OK 21: Testing Geometry wrapper 31: Randomness seeded to: 4194476554 31: Rows: 4 Columns: 4 31: 0 1 1 1 31: 1 0 1 1 31: 1 1 0 1 31: 1 1 1 0 31: =============================================================================== 31: All tests passed (28 assertions in 2 test cases) 31: 24/272 Test #31: testDistGeom ........................... Passed 0.02 sec test 32 Start 32: distGeomCatch 32: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom/distGeomCatch 32: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom 32: Test timeout computed to be: 7200 32: Randomness seeded to: 306495278 32: =============================================================================== 32: All tests passed (36 assertions in 2 test cases) 32: 25/272 Test #32: distGeomCatch .......................... Passed 0.00 sec test 33 Start 33: pyDistGeom 33: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DistGeom/Wrap/rough_test.py" 33: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DistGeom/Wrap 33: Test timeout computed to be: 7200 26/272 Test #21: testPyGeometry ......................... Passed 0.20 sec test 34 Start 34: graphmolTest1 34: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 34: Test timeout computed to be: 7200 34: Atoms: 34: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 34: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 34: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 34: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 34: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 34: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb: 34: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb: 34: 7 7 N chg: 0 deg: 2 exp: N/A imp: N/A hyb: arom?: 1 query: AtomAtomicNum 34: 8 22 Ti chg: 0 deg: 1 exp: N/A imp: N/A hyb: 34: Bonds: 34: 0 0->1 order: 1 34: 1 1->2 order: 2 34: 2 2->3 order: 1 34: 3 0->4 order: 1 34: 4 5->6 order: 3 34: 5 6->7 order: 1 34: 6 7->8 order: 2 34: [14:22:10] 34: 34: **** 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B378 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B584 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: attempt to add self-bond 34: Violation occurred on line 506 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: atomIdx1 != atomIdx2 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B664 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp 34: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B6A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: attempt to add self-bond 34: Violation occurred on line 410 in file ./Code/GraphMol/ROMol.cpp 34: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx() 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B798 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] Explicit valence for atom # 0 B, 4, is greater than permitted 34: [14:22:10] Explicit valence for atom # 0 B, 4, is greater than permitted 34: [14:22:10] 34: 34: **** 34: Post-condition Violation 34: Element 'Xx' not found 34: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 34: Failed Expression: anum > -1 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 3# 0x00000000000450BC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x000000000002897C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 5# 0x0000000000013130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 8# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test github381: thread-safe initialization of the periodic table 34: [14:22:10] done 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test github1041: Segfault for atom with no owner (expect some warnings) 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# 0x00000000000358C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013154 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 192 in file ./Code/GraphMol/Bond.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# 0x000000000003599C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013154 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] done 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test github1041: Segfault for atom with no owner (expect some warnings) 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# 0x00000000000358C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013158 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 192 in file ./Code/GraphMol/Bond.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 34: 2# 0x000000000003599C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013158 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:22:10] done 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test github1453: RWMol.clear() should reset the numBonds count. 34: [14:22:10] done 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test range-based for loops. 34: [14:22:10] done 34: [14:22:10] ------------------------------------- 34: [14:22:10] Test github1642: Atom index type is too low for big molecules. 25: ..... 25: ---------------------------------------------------------------------- 25: Ran 5 tests in 0.002s 25: 25: OK 25: Testing Alignment Wrapper code: 27/272 Test #25: pyAlignment ............................ Passed 0.27 sec test 35 Start 35: graphmolcpTest 35: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolcpTest 35: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 35: Test timeout computed to be: 7200 35: 35: 35: 35: COPY 28/272 Test #35: graphmolcpTest ......................... Passed 0.02 sec test 36 Start 36: graphmolqueryTest 36: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolqueryTest 36: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 36: Test timeout computed to be: 7200 36: [14:22:10] ---------------------- Test1 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test2 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test3 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test4 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test5 36: [14:22:10] Done! 36: [14:22:10] 36: 36: **** 36: Pre-condition Violation 36: Can't expand empty query 36: Violation occurred on line 29 in file ./Code/GraphMol/QueryAtom.cpp 36: Failed Expression: dp_query 36: ---------- 36: Stacktrace: 36: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 36: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 36: 2# RDKit::QueryAtom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 36: 3# 0x00000000000159F8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolqueryTest 36: 4# 0x0000000000010254 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolqueryTest 36: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 36: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 36: 7# 0x00000000000102E0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolqueryTest 36: ---------- 36: **** 36: 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test issue 2892580 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test github issue 53: query molecules not matching [R] 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test queries using qualifiers instead of == 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test extra atom queries 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test extra bond queries 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test num heteroatom neighbor queries 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test atom type queries 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Test Github #2471: dummy atom queries are flagged as complex 36: [14:22:10] Done! 36: [14:22:10] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery() 36: [14:22:10] Done! 29/272 Test #36: graphmolqueryTest ...................... Passed 0.02 sec test 37 Start 37: graphmolMolOpsTest 37: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolMolOpsTest 37: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 37: Test timeout computed to be: 7200 37: Randomness seeded to: 3216770841 37: 1 1 2 37: 1 1 1 37: 2 1 0.75 37: ------------------------------- 37: path: 2 37: [14:22:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 37: [14:22:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 37: [14:22:10] Explicit valence for atom # 0 B, 5, is greater than permitted 37: [14:22:10] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:22:10] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:22:10] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:22:10] Explicit valence for atom # 1 Si, 7, is greater than permitted 28: done 28: ------------------------------------- 28: Test finite difference gradient check (P(F)(F)F). 28: done 30/272 Test #28: testUFFForceField ...................... Passed 0.34 sec test 38 Start 38: graphmoltestChirality 38: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmoltestChirality 38: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 38: Test timeout computed to be: 7200 33: ...... 33: ---------------------------------------------------------------------- 33: Ran 6 tests in 0.001s 33: 33: OK 38: -------------------------- 38: -------------------------- 38: C/C=C/C(C)Cl 38: [14:22:10] Conflicting single bond directions around double bond at index 2. 38: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:22:10] Conflicting single bond directions around double bond at index 4. 38: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:22:10] Conflicting single bond directions around double bond at index 15. 38: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:22:10] Conflicting single bond directions around double bond at index 2. 38: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:22:10] Conflicting single bond directions around double bond at index 1. 38: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: smi: Cc1ccc(S(=O)(=O)\N=C2/CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 37: [14:22:10] non-ring atom 0 marked aromatic 37: [14:22:10] non-ring atom 0 marked aromatic 37: [14:22:10] non-ring atom 0 marked aromatic 38: -------------------------------------------------- 31/272 Test #33: pyDistGeom ............................. Passed 0.26 sec test 39 Start 39: graphmoltestPickler 39: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmoltestPickler 39: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 39: Test timeout computed to be: 7200 32/272 Test #38: graphmoltestChirality .................. Passed 0.06 sec test 40 Start 40: graphmoltestPicklerGlobalSetting 40: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmoltestPicklerGlobalSetting 40: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 40: Test timeout computed to be: 7200 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing String Pickle Roundtrips. 40: [14:22:10] done 33/272 Test #40: graphmoltestPicklerGlobalSetting ....... Passed 0.02 sec test 41 Start 41: graphmolIterTest 41: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolIterTest 41: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 41: Test timeout computed to be: 7200 37: [14:22:10] Conflicting single bond directions around double bond at index 17. 37: [14:22:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: starting ring finding 37: done 37: starting ring finding 37: done 37: starting ring finding 37: done 37: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C 37: starting sanitization 34/272 Test #41: graphmolIterTest ....................... Passed 0.02 sec test 42 Start 42: hanoiTest 42: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/hanoiTest 42: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 42: Test timeout computed to be: 7200 42: [14:22:10] Testing the hanoi sort 42: [14:22:10] populating vectors 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing reading existing pickle file (v2). 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing combining molecules using pickles. 39: Atoms: 39: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3 39: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: Bonds: 39: 0 0->1 order: 1 39: 1 1->2 order: 1 39: 2 2->0 order: 1 39: 3 3->4 order: 1 39: 4 4->5 order: 1 39: 5 5->6 order: 1 39: 6 6->3 order: 1 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Issue164: Roundtrip Pickle Failure. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Issue219: Pickle Failure with Conformations. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Issue220: Pickle problems with bond stereochemistry. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing query serialization. 39: [14:22:10] C=[$(C=O)] 39: [14:22:10] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl] 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing radical handling in pickles. 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 2788233. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 3202580. 39: mass! 13.0034 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 3316407. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 3496759. 39: smi match: *C *C 39: smi match: **=* **=* 39: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O 39: smi match: *OS(=O)OC *OS(=O)OC 39: smi match: *S(=O)(=O)OC *S(=O)(=O)OC 39: smi match: O=COC=O O=COC=O 39: smi match: OO OO 39: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 39: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1 39: smi match: nnnOC=O nnnOC=O 39: smi match: *=C=N *=C=N 39: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F 39: smi match: SP(S)=S SP(S)=S 39: smi match: NP(N)(N)=O NP(N)(N)=O 39: smi match: cN=[N+]=[N-] cN=[N+]=[N-] 39: smi match: *CC=O *CC=O 39: smi match: NNC=O NNC=O 39: smi match: * * 39: smi match: C=P C=P 39: smi match: CC(=N)Cl CC(=N)Cl 39: smi match: N=O N=O 39: smi match: ** ** 39: smi match: N=C=N N=C=N 39: smi match: [C-]#[NH+] [C-]#[NH+] 39: smi match: O=CON(C=O)C=O O=CON(C=O)C=O 39: smi match: N#CC[OH] N#CC[OH] 39: smi match: N#CC=O N#CC=O 39: smi match: N#CS(=O)=O N#CS(=O)=O 39: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC 39: smi match: N#CN=N N#CN=N 39: smi match: N=NCC=O N=NCC=O 39: smi match: CCCCCCC CCCCCCC 39: smi match: OCCOCCO OCCOCCO 39: smi match: SS SS 39: smi match: [SH] [SH] 39: smi match: *1CC1 *1CC1 39: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH] 39: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH] 39: smi match: NC(=S)N=N NC(=S)N=N 39: smi match: N#CS N#CS 39: smi match: cC[N+] cC[N+] 39: smi match: C*C=S C*C=S 39: smi match: N[CH2]C#N N[CH2]C#N 39: smi match: O=C1CCO1 O=C1CCO1 39: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH] 39: smi match: O=C1CCN1 O=C1CCN1 39: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1 39: smi match: C=CC=CC=CC=C C=CC=CC=CC=C 39: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1 39: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21 39: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1 39: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1 39: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 39: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2 39: smi match: cN(=O)~O cN(=O)~O 39: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O 39: smi match: N~NC=O N~NC=O 39: smi match: *=N~C *=N~C 39: smi match: CO*(=O)=O CO*(=O)=O 39: smi match: * * 39: smi match: * * 39: smi match: *C=C *C=C 39: smi match: N#CS N#CS 39: smi match: *C=S *C=S 39: smi match: *N *N 39: smi match: *C(=C)C=O *C(=C)C=O 39: smi match: *C#C *C#C 39: smi match: N#CCO N#CCO 39: smi match: O=N(=O)CCO O=N(=O)CCO 39: smi match: N=CS N=CS 39: smi match: O=CNC(O)C=O O=CNC(O)C=O 39: smi match: C=C(C=O)C=O C=C(C=O)C=O 39: smi match: N=CC=O N=CC=O 39: smi match: *C(C=O)C=O *C(C=O)C=O 39: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O 39: smi match: O=CC=CC=O O=CC=CC=O 39: smi match: O=CN(O)C=O O=CN(O)C=O 39: smi match: O=CN(S)C=O O=CN(S)C=O 39: smi match: O=CNC=O O=CNC=O 39: smi match: O=CNN=O O=CNN=O 39: smi match: O=CNNC=O O=CNNC=O 39: smi match: O=CNOC=O O=CNOC=O 39: smi match: O=CS O=CS 39: smi match: O=CSC=S O=CSC=S 39: smi match: S=CS S=CS 39: smi match: C=O C=O 39: smi match: *C=N *C=N 39: smi match: CCCCCCC CCCCCCC 39: smi match: CN=O CN=O 39: smi match: CS(=O)(=O)O CS(=O)(=O)O 39: smi match: O=C1CCO1 O=C1CCO1 39: smi match: C=C(S)[SH]=O C=C(S)[SH]=O 39: smi match: C=CCO C=CCO 39: smi match: C=CC=N C=CC=N 39: smi match: C=CC=O C=CC=O 39: smi match: C=CC(=O)C=C C=CC(=O)C=C 39: smi match: C=CC=S C=CC=S 39: smi match: C=CC(=S)S C=CC(=S)S 39: smi match: *C=C(*)C=C *C=C(*)C=C 39: smi match: C=CC=N C=CC=N 39: smi match: *N(*)C=C *N(*)C=C 39: smi match: C=CN(=O)=O C=CN(=O)=O 39: smi match: C=CN(O)=O C=CN(O)=O 39: smi match: C=CO C=CO 39: smi match: C=COC=O C=COC=O 39: smi match: C=CS C=CS 39: smi match: C=C[SH](=O)=O C=C[SH](=O)=O 39: smi match: C=NCO C=NCO 39: smi match: C=NC=O C=NC=O 39: smi match: C=NN C=NN 39: smi match: C=NN=C C=NN=C 39: smi match: C=NO C=NO 39: smi match: C=NOC=O C=NOC=O 39: smi match: C=N=O C=N=O 39: smi match: N#CS N#CS 39: smi match: *CN=O *CN=O 39: smi match: NCN NCN 39: smi match: ON=CCN=O ON=CCN=O 39: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O 39: smi match: N=C(N)S N=C(N)S 39: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1 39: smi match: NC=S NC=S 39: smi match: NC(N)=S NC(N)=S 39: smi match: C=CN C=CN 39: smi match: NOC=O NOC=O 39: smi match: C1CN1 C1CN1 39: smi match: O=C1NNNN1 O=C1NNNN1 39: smi match: N=C(N)C(=N)N N=C(N)C(=N)N 39: smi match: N=C(N)O N=C(N)O 39: smi match: N=C(N)C(=N)S N=C(N)C(=N)S 39: smi match: *C=N *C=N 39: smi match: N=CC=O N=CC=O 39: smi match: N=CS N=CS 39: smi match: N=C=N N=C=N 39: smi match: N=C=O N=C=O 39: smi match: N=C=S N=C=S 39: smi match: NOC(=O)O NOC(=O)O 39: smi match: *C(O)=S *C(O)=S 39: smi match: C=CO C=CO 39: smi match: ON=CC=NO ON=CC=NO 39: smi match: *C[SH](=O)=O *C[SH](=O)=O 39: smi match: OS(=O)=O OS(=O)=O 39: smi match: N#CS N#CS 39: smi match: C=C(S)S C=C(S)S 39: smi match: N=C(N)S N=C(N)S 39: smi match: N=C(S)S N=C(S)S 39: smi match: NC(=S)S NC(=S)S 39: smi match: O=CNS O=CNS 39: smi match: S S 39: smi match: [SiH4] [SiH4] 39: smi match: NS NS 39: smi match: NCN NCN 39: smi match: cC(c)(O)O cC(c)(O)O 39: smi match: *C(c)O *C(c)O 39: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O 39: smi match: cS(=O)(=O)O cS(=O)(=O)O 39: smi match: *c1ccccn1=O *c1ccccn1=O 39: smi match: *c1ccccn1 *c1ccccn1 39: smi match: *c1nccccn1 *c1nccccn1 39: smi match: C1COCOC1 C1COCOC1 39: smi match: C=S C=S 39: smi match: c=S c=S 39: smi match: S=CS S=CS 39: smi match: C=CN(=O)=O C=CN(=O)=O 39: smi match: C=CN(=O)O C=CN(=O)O 39: smi match: N=CC=O N=CC=O 39: smi match: C=CS C=CS 39: smi match: SC(S)(S)S SC(S)(S)S 39: smi match: OS(O)(O)O OS(O)(O)O 39: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O 39: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O 39: smi match: N#CS N#CS 39: smi match: C=NO C=NO 39: smi match: C=N[SH]=N C=N[SH]=N 39: smi match: O=C(S)S O=C(S)S 39: smi match: N=C(S)S N=C(S)S 39: smi match: N=C(=N)S N=C(=N)S 39: smi match: O=N=O O=N=O 39: smi match: O=NO O=NO 39: smi match: ONO ONO 39: smi match: C1SCS1 C1SCS1 39: smi match: N=C=S N=C=S 39: smi match: N=C=N N=C=N 39: smi match: C1N=N1 C1N=N1 39: smi match: *CS *CS 39: smi match: SC(S)=C(S)S SC(S)=C(S)S 39: smi match: N=CC=NO N=CC=NO 39: smi match: N#CCC#N N#CCC#N 39: smi match: CON=O CON=O 39: smi match: C=CN C=CN 39: smi match: C=N[SH](=O)=O C=N[SH](=O)=O 39: smi match: NN=O NN=O 39: smi match: NC(=O)S NC(=O)S 39: smi match: N#CS N#CS 39: smi match: NC(=O)C(N)=O NC(=O)C(N)=O 39: smi match: c=N c=N 39: smi match: C1COCO1 C1COCO1 39: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O 39: smi match: O=CC=O O=CC=O 39: smi match: O=CNOC=O O=CNOC=O 39: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1 39: smi match: ONO ONO 39: smi match: ON(~O)~O ON(~O)~O 39: smi match: OC1COC(O)C1 OC1COC(O)C1 39: smi match: OC1CCOC1O OC1CCOC1O 39: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1 39: smi match: N=[N+]=N N=[N+]=N 39: smi match: N#CN N#CN 39: smi match: C=NN=C C=NN=C 39: smi match: *CCN(C)C *CCN(C)C 39: smi match: CNN CNN 39: smi match: *CC *CC 39: smi match: OCS OCS 39: smi match: C1NO1 C1NO1 39: smi match: COS(C)(=O)=O COS(C)(=O)=O 39: smi match: C1CO1 C1CO1 39: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1 39: smi match: *C(*)=C *C(*)=C 39: smi match: N#[NH+] N#[NH+] 39: smi match: C#NO C#NO 39: smi match: OOO OOO 39: smi match: OO OO 39: smi match: O~Cl(~O)~O O~Cl(~O)~O 39: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O 39: smi match: [OH]~C(~O)~O [OH]~C(~O)~O 39: smi match: *N *N 39: smi match: *P *P 39: smi match: *S *S 39: smi match: *C(*)(*)C=C *C(*)(*)C=C 39: smi match: *C(*)(*)C=C *C(*)(*)C=C 39: smi match: *C(*)C=C *C(*)C=C 39: smi match: *CC=C *CC=C 39: smi match: CN=C=O CN=C=O 39: smi match: CN=C=S CN=C=S 39: smi match: *C=O *C=O 39: smi match: N=N N=N 39: smi match: SS SS 39: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1 39: smi match: CSC(C)=N CSC(C)=N 39: smi match: COC(C)=N COC(C)=N 39: smi match: C=C=C C=C=C 39: smi match: *C(=O)OC=O *C(=O)OC=O 39: smi match: C=CC#N C=CC#N 39: smi match: C=CC=O C=CC=O 39: smi match: CC=CC(C)=O CC=CC(C)=O 39: smi match: CC=CC(=O)OCC CC=CC(=O)OCC 39: smi match: C#CC#N C#CC#N 39: smi match: C#CC=O C#CC=O 39: smi match: C#CC(=O)OCC C#CC(=O)OCC 39: smi match: C#CC=O C#CC=O 39: smi match: *C(=O)C#C *C(=O)C#C 39: smi match: C=CC=O C=CC=O 39: smi match: *C(*)(*)O *C(*)(*)O 39: smi match: COS(O)(=O)=O COS(O)(=O)=O 39: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-] 39: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-] 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: *C(*)C=O *C(*)C=O 39: smi match: *CC=O *CC=O 39: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 39: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 39: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O 39: smi match: *C[SH](=O)=O *C[SH](=O)=O 39: smi match: * * 39: smi match: *1CC1 *1CC1 39: smi match: O=COC=O O=COC=O 39: smi match: N=C=O N=C=O 39: smi match: N=C=S N=C=S 39: smi match: O~O O~O 39: smi match: N~[SiH4] N~[SiH4] 39: smi match: *P *P 39: smi match: C=N=N C=N=N 39: smi match: *N#[NH+] *N#[NH+] 39: smi match: *S* *S* 39: smi match: ** ** 39: smi match: *CC* *CC* 39: smi match: *O[SiH3] *O[SiH3] 39: smi match: *OS(*)~O *OS(*)~O 39: smi match: N~N~O N~N~O 39: smi match: *N(~O)(~O)~O *N(~O)(~O)~O 39: smi match: *[N+](=C)[O-] *[N+](=C)[O-] 39: smi match: * * 39: smi match: *C(*)NCN(*)* *C(*)NCN(*)* 39: smi match: *OCC#N *OCC#N 39: smi match: **C=C **C=C 39: smi match: C=C[O-] C=C[O-] 39: smi match: C=CO C=CO 39: smi match: * * 39: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O 39: smi match: O=COn1ccnc1 O=COn1ccnc1 39: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 39: smi match: CC(C)(C)S CC(C)(C)S 39: smi match: [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C 39: smi match: [CH]=O [CH]=O 39: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C 39: smi match: SS SS 39: smi match: [SH] [SH] 39: smi match: *C* *C* 39: smi match: * * 39: smi match: C[nH3+] C[nH3+] 39: smi match: cC(=N)[NH2] cC(=N)[NH2] 39: smi match: O=CN[OH] O=CN[OH] 39: smi match: NN NN 39: smi match: * * 39: smi match: *OP(=O)O* *OP(=O)O* 39: smi match: * * 39: smi match: * * 39: smi match: * * 39: smi match: *N=C(*)* *N=C(*)* 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: CSC=O CSC=O 39: smi match: * * 39: smi match: O=CCl O=CCl 39: smi match: *** *** 39: smi match: *C=O *C=O 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[CH]=O C[CH]=O 39: smi match: *=* *=* 39: smi match: *C *C 39: smi match: C#C C#C 39: smi match: *[CH]C=C *[CH]C=C 39: smi match: cCC(=O)[OH] cCC(=O)[OH] 39: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH] 39: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH] 39: smi match: C=CC(=O)[OH] C=CC(=O)[OH] 39: smi match: N#CC(=O)[OH] N#CC(=O)[OH] 39: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O 39: smi match: *N(*)C*=O *N(*)C*=O 39: smi match: O=*C[OH] O=*C[OH] 39: smi match: *=C*=O *=C*=O 39: smi match: *=CC#N *=CC#N 39: smi match: *C[OH] *C[OH] 39: smi match: ** ** 39: smi match: *C[OH] *C[OH] 39: smi match: *C(*)=O *C(*)=O 39: smi match: * * 39: smi match: *CC(=O)[OH] *CC(=O)[OH] 39: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O 39: smi match: *c *c 39: smi match: CN(C)c CN(C)c 39: smi match: c c 39: smi match: *c *c 39: smi match: *c *c 39: smi match: **:*cF **:*cF 39: smi match: cB([OH])[OH] cB([OH])[OH] 39: smi match: N~N~N N~N~N 39: smi match: *N=N* *N=N* 39: smi match: *CC[OH] *CC[OH] 39: smi match: *CC[OH] *CC[OH] 42: [14:22:10] sorting (hanoi sort) vectors 39: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH] 39: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH] 39: smi match: *CCC(=O)[OH] *CCC(=O)[OH] 39: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH] 39: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O 39: smi match: *OC(*)=O *OC(*)=O 39: smi match: *C(=O)[OH] *C(=O)[OH] 39: smi match: O=C[OH] O=C[OH] 39: smi match: *OC(=O)O* *OC(=O)O* 39: smi match: * * 39: smi match: *OC(=O)Cl *OC(=O)Cl 39: smi match: *C#N *C#N 39: smi match: NCC(=O)NCC=O NCC(=O)NCC=O 39: smi match: SS SS 39: smi match: * * 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: C1CO1 C1CO1 39: smi match: *OC(*)=O *OC(*)=O 39: smi match: * * 39: smi match: *O*[OH] *O*[OH] 39: smi match: COC(C)(C)O COC(C)(C)O 39: smi match: *[OH] *[OH] 39: smi match: ** ** 39: smi match: C=N[NH2] C=N[NH2] 39: smi match: C=NC=O C=NC=O 39: smi match: * * 39: smi match: C#NC C#NC 39: smi match: CN=C=O CN=C=O 39: smi match: CN=C=S CN=C=S 39: smi match: *OC(*)(*)O* *OC(*)(*)O* 39: smi match: *C(*)=O *C(*)=O 39: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C 39: smi match: *~*=O *~*=O 39: smi match: *~*=O *~*=O 39: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH] 39: smi match: * * 39: smi match: *C#N *C#N 39: smi match: *N(=O)~O *N(=O)~O 39: smi match: N N 39: smi match: OC(=O)C(O)=O OC(=O)C(O)=O 39: smi match: C=NO C=NO 39: smi match: O~O O~O 39: smi match: c[OH] c[OH] 39: smi match: O=P(~[OH])~O O=P(~[OH])~O 39: smi match: CO~P(=O)~O CO~P(=O)~O 39: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O 39: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O 39: smi match: O=P(~O)~O O=P(~O)~O 39: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O 39: smi match: C[NH2] C[NH2] 39: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1 39: smi match: * * 39: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 39: smi match: CS(C)~O CS(C)~O 39: smi match: CS(C)(~O)~O CS(C)(~O)~O 39: smi match: CS(N)(~O)~O CS(N)(~O)~O 39: smi match: CS([OH])(~O)~O CS([OH])(~O)~O 39: smi match: COS(C)(~O)~O COS(C)(~O)~O 39: smi match: *S(C)(~O)~O *S(C)(~O)~O 39: smi match: CN(C)C CN(C)C 39: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1 39: smi match: *C(*)=S *C(*)=S 39: smi match: *OC(*)=S *OC(*)=S 39: smi match: * * 39: smi match: C[SH] C[SH] 39: smi match: c[SH] c[SH] 39: smi match: NC(N)=S NC(N)=S 39: smi match: * * 39: smi match: ***** ***** 39: smi match: NC(N)=O NC(N)=O 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 280. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing sf.net issue 285. 39: [14:22:10] done 39: [14:22:10] done with testAtomResidues 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Github2441: Add RDProps interface to Conformers. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Issue2510: Pickle Confs as double. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing Github #2465: Negative atom-map numbers cause depickling to fail. 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing loading pickled mols with conformers 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing conformer reading/writing options 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing property reading options 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing property reading options 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing boost::serialization integration 39: [14:22:10] done 39: [14:22:10] ------------------------------------- 39: [14:22:10] Testing github issue 6036 35/272 Test #39: graphmoltestPickler .................... Passed 0.25 sec test 43 Start 43: graphmolMemTest1 43: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolMemTest1 43: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 43: Test timeout computed to be: 7200 36/272 Test #43: graphmolMemTest1 ....................... Passed 0.01 sec test 44 Start 44: resMolSupplierTest 44: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/resMolSupplierTest 44: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 44: Test timeout computed to be: 7200 30: ...[14:22:10] Molecule does not have explicit Hs. Consider calling AddHs() 30: ......[14:22:10] Molecule does not have explicit Hs. Consider calling AddHs() 30: ... 30: ---------------------------------------------------------------------- 30: Ran 12 tests in 0.894s 30: 30: OK 37/272 Test #30: pyForceFieldConstraints ................ Passed 1.29 sec test 45 Start 45: molBundleTest 45: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/molBundleTest 45: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 45: Test timeout computed to be: 7200 38/272 Test #45: molBundleTest .......................... Passed 0.02 sec test 46 Start 46: testSGroup 46: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testSGroup 46: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 46: Test timeout computed to be: 7200 39/272 Test #46: testSGroup ............................. Passed 0.03 sec test 47 Start 47: test-valgrind 47: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/test-valgrind 47: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 47: Test timeout computed to be: 7200 40/272 Test #47: test-valgrind .......................... Passed 0.01 sec test 48 Start 48: graphmolTestsCatch 48: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 48: Test timeout computed to be: 7200 48: Randomness seeded to: 131791152 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 N, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 2 O, 3, is greater than permitted 48: [14:22:11] Explicit valence for atom # 2 O, 3, is greater than permitted 48: [14:22:11] non-ring atom 2 marked aromatic 48: [14:22:11] non-ring atom 2 marked aromatic 48: [14:22:11] non-ring atom 2 marked aromatic 48: [14:22:11] non-ring atom 2 marked aromatic 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:22:11] Explicit valence for atom # 1 O, 3, is greater than permitted 48: [14:22:11] Explicit valence for atom # 4 F, 2, is greater than permitted 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 48: [14:22:11] Explicit valence for atom # 1 C, 5, is greater than permitted 48: [14:22:11] WARNING: not removing hydrogen atom with dummy atom neighbors 48: [14:22:11] WARNING: not removing hydrogen atom with dummy atom neighbors 48: [14:22:11] WARNING: not removing hydrogen atom with wedged bond 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] Unreasonable formal charge on atom # 0. 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 174 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008EFBC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F034 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 175 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F0B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 357 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F174 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F1F0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 358 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F274 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8F0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F3A0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F424 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: null atom passed in 48: Violation occurred on line 379 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: atom_pin 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8D4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: cannot take ownership of an atom which already has an owner 48: Violation occurred on line 380 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F580 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: cannot take ownership of an bond which already has an owner 48: Violation occurred on line 405 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8A0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] WARNING: not removing hydrogen atom without neighbors 48: [14:22:11] Explicit valence for atom # 1 F greater than permitted 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: plain atoms have no Query 48: Violation occurred on line 701 in file ./Code/GraphMol/Atom.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Atom::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003FCC8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: plain atoms have no Query 48: Violation occurred on line 706 in file ./Code/GraphMol/Atom.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Atom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003FD6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: plain bonds have no Query 48: Violation occurred on line 218 in file ./Code/GraphMol/Bond.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Bond::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003F8AC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] 48: 48: **** 48: Pre-condition Violation 48: plain bonds have no query 48: Violation occurred on line 239 in file ./Code/GraphMol/Bond.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Bond::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003F94C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:22:11] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:22:11] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] Explicit valence for atom # 1 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 3 N, 4, is greater than permitted 48: [14:22:11] Explicit valence for atom # 15 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 11 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:22:11] Explicit valence for atom # 9 C, 6, is greater than permitted 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 7 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 7 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:22:11] Explicit valence for atom # 1 O, 3, is greater than permitted 48: [14:22:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 48: [14:22:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this attachment point. 48: [14:22:11] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom 48: [14:22:11] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] non-ring atom 0 marked aromatic 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:22:11] Explicit valence for atom # 0 Al, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 Al, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Si, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Si, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 P, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 P, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 P, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 P, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 As, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 As, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 As, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 As, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 Sb, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 Sb, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 Sb, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 0 Sb, 7, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Bi, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Bi, 6, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Bi, 8, is greater than permitted 48: [14:22:11] Explicit valence for atom # 1 Bi, 8, is greater than permitted 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:22:11] Can't kekulize mol. Unkekulized atoms: 2 3 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 48: =============================================================================== 48: All tests passed (4651 assertions in 117 test cases) 48: 41/272 Test #48: graphmolTestsCatch ..................... Passed 0.43 sec test 49 Start 49: graphmolOrganometallicsCatch 49: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolOrganometallicsCatch 49: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 49: Test timeout computed to be: 7200 49: Randomness seeded to: 2283177182 49: =============================================================================== 49: All tests passed (62 assertions in 6 test cases) 49: 42/272 Test #49: graphmolOrganometallicsCatch ........... Passed 0.05 sec test 50 Start 50: graphmolSGroupCatch 50: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolSGroupCatch 50: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 50: Test timeout computed to be: 7200 50: Randomness seeded to: 1525228781 50: =============================================================================== 50: All tests passed (136 assertions in 8 test cases) 50: 43/272 Test #50: graphmolSGroupCatch .................... Passed 0.02 sec test 51 Start 51: graphmolAdjustQueryCatch 51: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/graphmolAdjustQueryCatch 51: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 51: Test timeout computed to be: 7200 51: Randomness seeded to: 4758789 51: =============================================================================== 51: All tests passed (332 assertions in 12 test cases) 51: 44/272 Test #51: graphmolAdjustQueryCatch ............... Passed 0.04 sec test 52 Start 52: chiralityTestsCatch 52: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/chiralityTestsCatch 52: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 52: Test timeout computed to be: 7200 52: Randomness seeded to: 1397226941 52: [14:22:11] unable to set wavy bonds for double bonds: 3 52: [14:22:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 52: [14:22:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 52: [14:22:11] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 52: [14:22:11] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 52: [14:22:11] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored 52: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:22:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: =============================================================================== 52: All tests passed (2505 assertions in 88 test cases) 52: 45/272 Test #52: chiralityTestsCatch .................... Passed 0.13 sec test 53 Start 53: canonTestsCatch 53: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/canonTestsCatch 53: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 53: Test timeout computed to be: 7200 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 37: done 37: starting sanitization 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 37: done 37: starting ring finding 37: done 37: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 37: [14:22:12] WARNING: not removing hydrogen atom with dummy atom neighbors 37: [14:22:12] Explicit valence for atom # 0 N, 4, is greater than permitted 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:22:12] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:22:12] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:22:12] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:22:12] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:22:12] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:22:12] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: 37: [14:22:12] WARNING: not removing hydrogen atom with dummy atom neighbors 37: [14:22:12] Maximum BFS search size exceeded. 37: This is likely due to a highly symmetric fused ring system. 37: F/C=C/Cl 37: [H]/C(F)=C(/[H])Cl 37: F/C=C/Cl 37: F/C=C/Cl 37: C/C(F)=C(/C)Cl 37: =============================================================================== 37: All tests passed (5707 assertions in 115 test cases) 37: 46/272 Test #37: graphmolMolOpsTest ..................... Passed 2.64 sec test 54 Start 54: moliteratorTestsCatch 54: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/moliteratorTestsCatch 54: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 54: Test timeout computed to be: 7200 54: Randomness seeded to: 3774027276 54: =============================================================================== 54: All tests passed (37 assertions in 9 test cases) 54: 47/272 Test #54: moliteratorTestsCatch .................. Passed 0.02 sec test 55 Start 55: molrangesTestsCatch 55: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/molrangesTestsCatch 55: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 55: Test timeout computed to be: 7200 55: Randomness seeded to: 3494372161 55: =============================================================================== 55: All tests passed (20 assertions in 2 test cases) 55: 48/272 Test #55: molrangesTestsCatch .................... Passed 0.01 sec test 56 Start 56: queryTestsCatch 56: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/queryTestsCatch 56: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 56: Test timeout computed to be: 7200 56: Randomness seeded to: 85422556 56: =============================================================================== 56: All tests passed (57 assertions in 5 test cases) 56: 49/272 Test #56: queryTestsCatch ........................ Passed 0.02 sec test 57 Start 57: molbundleTestsCatch 57: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/molbundleTestsCatch 57: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 57: Test timeout computed to be: 7200 57: Randomness seeded to: 2959962921 57: =============================================================================== 57: All tests passed (6 assertions in 1 test case) 57: 50/272 Test #57: molbundleTestsCatch .................... Passed 0.02 sec test 58 Start 58: pickleTestsCatch 58: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/pickleTestsCatch 58: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 58: Test timeout computed to be: 7200 58: Randomness seeded to: 4253992799 58: =============================================================================== 58: All tests passed (47 assertions in 5 test cases) 58: 51/272 Test #58: pickleTestsCatch ....................... Passed 0.11 sec test 59 Start 59: tableTestsCatch 59: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/tableTestsCatch 59: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 59: Test timeout computed to be: 7200 59: Randomness seeded to: 2103770594 59: =============================================================================== 59: All tests passed (7 assertions in 2 test cases) 59: 52/272 Test #59: tableTestsCatch ........................ Passed 0.02 sec test 60 Start 60: molopsTestsCatch 60: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/molopsTestsCatch 60: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 60: Test timeout computed to be: 7200 60: Randomness seeded to: 2313082548 60: =============================================================================== 60: All tests passed (592 assertions in 16 test cases) 60: 53/272 Test #60: molopsTestsCatch ....................... Passed 0.04 sec test 61 Start 61: testMacroMol 61: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 61: Test timeout computed to be: 7200 61: Randomness seeded to: 1672279389 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 168 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(beginAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x00000000000193C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: end atom is a macro atom 61: Violation occurred on line 169 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(endAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019468 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 168 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(beginAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019508 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: end atom is a macro atom 61: Violation occurred on line 169 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(endAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019584 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 175 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(this->getAtomWithIdx(bond->getBeginAtomIdx())) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001962C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:12] 61: 61: **** 61: Pre-condition Violation 61: local template library is null 61: Violation occurred on line 32 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: dp_localTemplateLibrary 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::MacroMol(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001B950 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:13] 61: 61: **** 61: Pre-condition Violation 61: local template library is null 61: Violation occurred on line 52 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: newTemplateLibrary 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::setLocalTemplateLibrary(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001B7F0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:22:13] 61: 61: **** 61: Pre-condition Violation 61: cannot add a null MacroMolTemplate 61: Violation occurred on line 209 in file ./Code/GraphMol/MacroMolTemplate.cpp 61: Failed Expression: macroMolTemplate 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMolTemplateLibrary::addTemplate(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001A130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: =============================================================================== 61: All tests passed (116 assertions in 10 test cases) 61: 54/272 Test #61: testMacroMol ........................... Passed 0.02 sec test 62 Start 62: ringSystemsTest 62: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ringSystemsTest 62: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 62: Test timeout computed to be: 7200 12: ................... 12: ---------------------------------------------------------------------- 12: Ran 19 tests in 3.382s 12: 12: OK 55/272 Test #12: pyBV ................................... Passed 3.65 sec test 63 Start 63: testMacroMolTemplate 63: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol 63: Test timeout computed to be: 7200 63: Randomness seeded to: 443770642 63: [14:22:13] 63: 63: **** 63: Pre-condition Violation 63: main group has already been set 63: Violation occurred on line 109 in file ./Code/GraphMol/MacroMolTemplate.cpp 63: Failed Expression: !d_mainGroupSet 63: ---------- 63: Stacktrace: 63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 63: 2# RDKit::MacroMolTemplateBuilder::setMainGroup(std::vector >&&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 63: 3# 0x000000000001B2AC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 4# 0x000000000005742C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 5# 0x0000000000058AE0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 6# 0x0000000000058F38 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 7# 0x000000000002A844 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 8# 0x000000000002ADAC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 9# 0x0000000000015EA8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 12# 0x0000000000015F30 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: ---------- 63: **** 63: 63: [14:22:13] 63: 63: **** 63: Pre-condition Violation 63: cannot add a null MacroMolTemplate 63: Violation occurred on line 209 in file ./Code/GraphMol/MacroMolTemplate.cpp 63: Failed Expression: macroMolTemplate 63: ---------- 63: Stacktrace: 63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 63: 2# RDKit::MacroMolTemplateLibrary::addTemplate(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 63: 3# 0x0000000000019E48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 4# 0x000000000005742C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 5# 0x0000000000058AE0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 6# 0x0000000000058F38 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 7# 0x000000000002A844 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 8# 0x000000000002ADAC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 9# 0x0000000000015EA8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 12# 0x0000000000015F30 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/testMacroMolTemplate 63: ---------- 63: **** 63: 63: =============================================================================== 63: All tests passed (52 assertions in 8 test cases) 63: 56/272 Test #63: testMacroMolTemplate ................... Passed 0.02 sec test 64 Start 64: smiTest1 64: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTest1 64: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 64: Test timeout computed to be: 7200 64: Randomness seeded to: 3795416964 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] WARNING: not removing hydrogen atom without neighbors 64: [14:22:13] Invalid chiral specification on atom 0 64: [14:22:13] Invalid chiral specification on atom 0 64: [14:22:13] Invalid chiral specification on atom 0 64: [14:22:13] Invalid chiral specification on atom 0 64: [14:22:13] Invalid chiral specification on atom 0 62: Randomness seeded to: 969805275 62: Time taken for 1000 calls to symmetrizeSSSR (new): 0.375766 seconds. 62: mol has 70 rings 64: [14:22:13] SMILES Parse Error: unclosed ring for input: 'C1.C11.C' 64: [14:22:13] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:22:13] SMILES Parse Error: check for mistakes around position 4: 64: [14:22:13] c%()ccccc%() 64: [14:22:13] ~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:22:13] SMILES Parse Error: check for mistakes around position 9: 64: [14:22:13] c%(100000)ccccc%(100000) 64: [14:22:13] ~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:22:13] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111' 64: [14:22:13] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMILES Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMILES Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMILES Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMILES Parse Error: extra close parentheses while parsing: C) 64: [14:22:13] SMILES Parse Error: check for mistakes around position 2: 64: [14:22:13] C) 64: [14:22:13] ~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: CC=(CO)C 64: [14:22:13] SMILES Parse Error: check for mistakes around position 4: 64: [14:22:13] CC=(CO)C 64: [14:22:13] ~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'CC=(CO)C' for input: 'CC=(CO)C' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: CC=(CO)C 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 4: 64: [14:22:13] CC=(CO)C 64: [14:22:13] ~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'CC=(CO)C' for input: 'CC=(CO)C' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: baz 64: [14:22:13] SMILES Parse Error: check for mistakes around position 2: 64: [14:22:13] baz 64: [14:22:13] ~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'baz' for input: 'baz' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: baz 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 3: 64: [14:22:13] baz 64: [14:22:13] ~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'baz' for input: 'baz' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: fff 64: [14:22:13] SMILES Parse Error: check for mistakes around position 1: 64: [14:22:13] fff 64: [14:22:13] ^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'fff' for input: 'fff' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: fff 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 1: 64: [14:22:13] fff 64: [14:22:13] ^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'fff' for input: 'fff' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: C+0 64: [14:22:13] SMILES Parse Error: check for mistakes around position 2: 64: [14:22:13] C+0 64: [14:22:13] ~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C+0' for input: 'C+0' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: C+0 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 2: 64: [14:22:13] C+0 64: [14:22:13] ~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'C+0' for input: 'C+0' 64: [14:22:13] SMILES Parse Error: number too large while parsing: [555555555555555555C] 64: [14:22:13] SMILES Parse Error: check for mistakes around position 11: 64: [14:22:13] [555555555555555555C] 64: [14:22:13] ~~~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES '[555555555555555555C]' for input: '[555555555555555555C]' 64: [14:22:13] SMARTS Parse Error: number too large while parsing: [555555555555555555C] 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 11: 64: [14:22:13] [555555555555555555C] 64: [14:22:13] ~~~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '[555555555555555555C]' for input: '[555555555555555555C]' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: [Fe@TD] 64: [14:22:13] SMILES Parse Error: check for mistakes around position 5: 64: [14:22:13] [Fe@TD] 64: [14:22:13] ~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES '[Fe@TD]' for input: '[Fe@TD]' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: [Fe@TD] 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 5: 64: [14:22:13] [Fe@TD] 64: [14:22:13] ~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '[Fe@TD]' for input: '[Fe@TD]' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:22:13] SMILES Parse Error: check for mistakes around position 4: 64: [14:22:13] c%()ccccc%() 64: [14:22:13] ~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 4: 64: [14:22:13] c%()ccccc%() 64: [14:22:13] ~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:22:13] SMILES Parse Error: check for mistakes around position 9: 64: [14:22:13] c%(100000)ccccc%(100000) 64: [14:22:13] ~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 9: 64: [14:22:13] c%(100000)ccccc%(100000) 64: [14:22:13] ~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:22:13] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMILES Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 14: 64: [14:22:13] COc(c1)cccc1C# 64: [14:22:13] ~~~~~~~~~~~~~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:22:13] SMILES Parse Error: extra close parentheses while parsing: C) 64: [14:22:13] SMILES Parse Error: check for mistakes around position 2: 64: [14:22:13] C) 64: [14:22:13] ~^ 64: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 64: [14:22:13] SMARTS Parse Error: syntax error while parsing: C) 64: [14:22:13] SMARTS Parse Error: check for mistakes around position 2: 64: [14:22:13] C) 64: [14:22:13] ~^ 64: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'C)' for input: 'C)' 64: =============================================================================== 64: All tests passed (1695 assertions in 73 test cases) 64: 57/272 Test #64: smiTest1 ............................... Passed 0.20 sec test 65 Start 65: smiTest2 65: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTest2 65: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 65: Test timeout computed to be: 7200 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO' 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 65: [14:22:13] SMILES Parse Error: syntax error while parsing: - 65: [14:22:13] SMILES Parse Error: check for mistakes around position 1: 65: [14:22:13] - 65: [14:22:13] ^ 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES '-' for input: '-' 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]' 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C' 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 65: [14:22:13] SMILES Parse Error: Failed parsing SMILES '*' for input: '*' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O' 65: [14:22:13] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*' 58/272 Test #65: smiTest2 ............................... Passed 0.01 sec test 66 Start 66: cxsmilesTest 66: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/cxsmilesTest 66: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 66: Test timeout computed to be: 7200 66: Randomness seeded to: 895100945 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 42: [14:22:13] done: 500000 42: [14:22:13] Done 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 42: [14:22:13] Testing hanoi with a functor. 42: [14:22:13] Done 42: [14:22:13] Testing basic partition refinement. 42: [14:22:13] Done 42: [14:22:13] Testing partition refinement with neighbors. 42: [14:22:13] Done 42: [14:22:13] testing canonicalization via tie breaking. 42: [14:22:13] Done 42: [14:22:13] testing canonicalization using the wrapper. 42: [14:22:13] Done 42: [14:22:13] testing some specific ordering problems 42: [14:22:13] Finished 42: [14:22:13] testing chiral invariants. 42: [14:22:13] Finished 42: [14:22:13] testing unique ranks in w.r.t. renumbering. 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 42: [14:22:13] Finished 42: [14:22:13] testing mol fragments. 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 42: [14:22:13] Finished 42: [14:22:13] testing protein round-tripping. 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:22:13] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: Time taken for 1000 calls to symmetrizeSSSR (legacy): 0.346017 seconds. 62: mol has 24 rings 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: Time taken for 1 call to symmetrizeSSSR (new): 0.0419882 seconds. 62: mol has 4120 rings 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 62: Time taken for 1 call to symmetrizeSSSR (legacy): 0.00194823 seconds. 62: mol has 58 rings 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:22:13] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 42: [14:22:14] Finished 42: [14:22:14] testing stability w.r.t. renumbering. 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 66: [14:22:14] Atom 3 appears more than once in stereo group specification! 66: =============================================================================== 66: All tests passed (2543 assertions in 36 test cases) 66: 59/272 Test #66: cxsmilesTest ........................... Passed 0.99 sec test 67 Start 67: smaTest1 67: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smaTest1 67: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 67: Test timeout computed to be: 7200 67: [14:22:14] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC 67: [14:22:14] SMARTS Parse Error: check for mistakes around position 6: 67: [14:22:14] [C:10H3]CC 67: [14:22:14] ~~~~~^ 67: [14:22:14] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC' 67: [14:22:14] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON 67: [14:22:14] SMARTS Parse Error: check for mistakes around position 6: 67: [14:22:14] [C:10:3]ON 67: [14:22:14] ~~~~~^ 67: [14:22:14] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON' 67: [14:22:14] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 67: [14:22:14] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 67: Testing SMILES: O=C1C[C@]([H])1F [#8]=[#6]1-[#6]-[#6@H]-1-[#9] 67: Testing SMILES: Cl[C@@H]1CCC1=O [#17]-[#6@@H]1-[#6]-[#6]-[#6]-1=[#8] 67: Testing SMILES: N1CCN=C1[C@H]1CCCc2ccccc21 [#7]1-[#6]-[#6]-[#7]=[#6]-1-[#6@H]1-[#6]-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-1 67: Testing SMILES: C[C@@H](Cl)[C@H]1CC[C@@H](Cl)CC1 [#6]-[#6@@H](-[#17])-[#6@H]1-[#6]-[#6]-[#6@@H](-[#17])-[#6]-[#6]-1 67: Testing SMILES: Fc1cn([C@@H]2CCCO2)c(=O)[nH]c1=O [#9]-[#6]1:[#6]:[#7](-[#6@@H]2-[#6]-[#6]-[#6]-[#8]-2):[#6](=[#8]):[#7]:[#6]:1=[#8] 67: Testing SMILES: [C@@]1(C)(C(C)(C)C)O[C@@H](CN)[C@H](C[NH3+])O1 [#6]-[#6@]1(-[#6](-[#6])(-[#6])-[#6])-[#8]-[#6@@H](-[#6]-[#7])-[#6@H](-[#6]-[#7+])-[#8]-1 67: Testing SMILES: O=C1C[C@](Cl)1F [#8]=[#6]1-[#6]-[#6@@]-1(-[#17])-[#9] 67: Testing SMILES: Br[C@@H](Cl)F [#35]-[#6@@H](-[#17])-[#9] 60/272 Test #67: smaTest1 ............................... Passed 0.14 sec test 68 Start 68: smiTestCatch 68: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 68: Test timeout computed to be: 7200 61/272 Test #44: resMolSupplierTest ..................... Passed 4.13 sec test 69 Start 69: nontetrahedralCatch 69: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/nontetrahedralCatch 69: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 69: Test timeout computed to be: 7200 68: Randomness seeded to: 4141114055 68: [14:22:14] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 68: [14:22:14] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:22:14] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:22:14] SMARTS Parse Error: unclosed ring for input: 'c1ccccc' 69: Randomness seeded to: 2222744188 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 68: [14:22:14] SMARTS Parse Error: unclosed ring for input: 'C1C' 68: [14:22:14] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:22:14] SMARTS Parse Error: syntax error while parsing: C)foo 68: [14:22:14] SMARTS Parse Error: check for mistakes around position 2: 68: [14:22:14] C)foo 68: [14:22:14] ~^ 68: [14:22:14] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo' 68: [14:22:14] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| 68: [14:22:14] SMARTS Parse Error: check for mistakes around position 4: 68: [14:22:14] CCC |$foo;;bar$| 68: [14:22:14] ~~~^ 68: [14:22:14] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|' 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 68: [14:22:14] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu' 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:22:14] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false. 69: =============================================================================== 69: All tests passed (308 assertions in 9 test cases) 69: 62/272 Test #69: nontetrahedralCatch .................... Passed 0.05 sec test 70 Start 70: v2smiTestCatch 70: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/v2smiTestCatch 70: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 70: Test timeout computed to be: 7200 70: Randomness seeded to: 1452036425 70: =============================================================================== 70: All tests passed (14 assertions in 2 test cases) 70: 63/272 Test #70: v2smiTestCatch ......................... Passed 0.02 sec test 71 Start 71: smartsTestCatch 71: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smartsTestCatch 71: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse 71: Test timeout computed to be: 7200 71: Randomness seeded to: 2953463308 71: =============================================================================== 71: All tests passed (234 assertions in 4 test cases) 71: 64/272 Test #71: smartsTestCatch ........................ Passed 0.02 sec test 72 Start 72: testDepictor 72: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor/testDepictor 72: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor 72: Test timeout computed to be: 7200 72: [14:22:14] *********************************************************** 72: [14:22:14] test1 72: 72: RDKit 2D 72: 72: 51 57 0 0 0 0 0 0 0 0999 V2000 72: -6.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -1.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.5490 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.9510 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -13.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 7.7942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 6.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 9.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 10 21 2 0 72: 10 22 2 0 72: 8 23 2 0 72: 23 24 1 0 72: 3 25 1 0 72: 25 26 2 0 72: 25 27 1 0 72: 27 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 2 0 72: 32 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 35 36 2 0 72: 30 37 1 0 72: 37 38 1 0 72: 2 39 1 0 72: 39 40 1 0 72: 40 41 1 0 72: 41 42 2 0 72: 42 43 1 0 72: 43 44 2 0 72: 44 45 1 0 72: 45 46 1 0 72: 46 47 2 0 72: 47 48 1 0 72: 48 49 2 0 72: 39 50 2 0 72: 39 51 2 0 72: 20 15 1 0 72: 16 11 2 0 72: 24 5 2 0 72: 36 31 1 0 72: 38 27 1 0 72: 49 44 1 0 72: 45 40 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 51 57 0 0 0 0 0 0 0 0999 V2000 72: 11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 7.7942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 9.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 6.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 13.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 14.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 15.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 16.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 16.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 13.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.7010 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 10 21 2 0 72: 10 22 2 0 72: 8 23 2 0 72: 23 24 1 0 72: 3 25 1 0 72: 25 26 2 0 72: 25 27 1 0 72: 27 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 2 0 72: 32 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 35 36 2 0 72: 30 37 1 0 72: 37 38 1 0 72: 2 39 1 0 72: 39 40 1 0 72: 40 41 1 0 72: 41 42 2 0 72: 42 43 1 0 72: 43 44 2 0 72: 44 45 1 0 72: 45 46 1 0 72: 46 47 2 0 72: 47 48 1 0 72: 48 49 2 0 72: 39 50 2 0 72: 39 51 2 0 72: 20 15 1 0 72: 16 11 2 0 72: 24 5 2 0 72: 36 31 1 0 72: 38 27 1 0 72: 49 44 1 0 72: 45 40 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 10.7978 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -1.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.0260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.5260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.0260 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 1.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0890 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7187 3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3025 4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.6729 3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0432 2.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1458 5.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 5.9151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.6675 7.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 8.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.2494 9.7687 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 13 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 3 1 0 72: 10 2 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 13 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 3 1 0 72: 10 2 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 35 43 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.5037 -1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.8740 -0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.7172 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.9307 1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.9709 3.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.5037 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.3011 1.2587 0.0000 C 0 0 0 0 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-2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 5 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 16 1 0 72: 16 17 1 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 19 21 2 0 72: 2 22 2 0 72: 17 4 1 0 72: 16 15 1 0 72: 10 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 24 0 0 0 0 0 0 0 0999 V2000 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 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0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 3 1 0 72: 10 2 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 13 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 3 1 0 72: 10 2 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 26 0 0 0 0 0 0 0 0999 V2000 72: 2.9250 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.4918 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.4635 1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0932 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3067 4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7229 4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4906 3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3338 2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0365 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2389 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 2 0 72: 9 11 1 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 15 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 19 21 1 0 72: 21 22 1 0 72: 20 14 1 0 72: 20 5 1 0 72: 22 2 1 0 72: 22 6 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 26 0 0 0 0 0 0 0 0999 V2000 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.4918 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1550 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 2 0 72: 9 11 1 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 15 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 19 21 1 0 72: 21 22 1 0 72: 20 14 1 0 72: 20 5 1 0 72: 22 2 1 0 72: 22 6 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 32 33 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2500 -3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8899 -6.5665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0046 -7.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.3037 -6.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.9918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.5260 4.8116 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 4.7261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 4.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 12 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 1 0 72: 18 19 2 3 72: 19 20 1 0 72: 19 21 1 0 72: 21 22 1 0 72: 22 23 1 0 72: 23 24 1 0 72: 24 25 1 0 72: 26 27 1 0 72: 27 28 2 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 1 0 72: 6 1 2 0 72: 17 12 2 0 72: 25 21 1 0 72: 32 28 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 32 33 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 7.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 7.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 6.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 8.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.1399 10.1645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.2546 11.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5537 10.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2418 8.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.5583 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.8083 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.3083 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.4266 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.4266 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 12 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 1 0 72: 18 19 2 3 72: 19 20 1 0 72: 19 21 1 0 72: 21 22 1 0 72: 22 23 1 0 72: 23 24 1 0 72: 24 25 1 0 72: 26 27 1 0 72: 27 28 2 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 1 0 72: 6 1 2 0 72: 17 12 2 0 72: 25 21 1 0 72: 32 28 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 14 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8899 -6.5665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 3 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 6 1 2 0 72: 14 10 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 23 0 0 0 0 0 0 0 0999 V2000 72: 2.0297 -0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.6443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 -2.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 9 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 5 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 17 12 1 0 72: 19 2 1 0 72: 21 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 23 0 0 0 0 0 0 0 0999 V2000 72: 2.0494 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.6443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 -2.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 9 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 5 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 17 12 1 0 72: 19 2 1 0 72: 21 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 68: [14:22:14] w block attempts to set wedging on bond 0 more than once. 68: [14:22:14] improperly formatted w block 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 10.7978 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -1.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.0260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.5260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.0260 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 1.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0890 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7187 3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3025 4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.6729 3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0432 2.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1458 5.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 5.9151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.6675 7.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 8.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.2494 9.7687 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 7 8 0 0 0 0 0 0 0 0999 V2000 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1506 1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 1 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 1 1 0 72: 5 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 7 8 0 0 0 0 0 0 0 0999 V2000 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8209 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8209 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 1 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 1 1 0 72: 5 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 9 3 1 0 72: 12 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 9 3 1 0 72: 12 2 1 0 72: M END 72: 68: [14:22:14] atom 3 is not associated with bond 1(1-2) in w block 72: 72: RDKit 2D 72: 72: 12 14 0 0 0 0 0 0 0 0999 V2000 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.1081 -0.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 8 2 1 0 72: 12 2 1 0 72: 12 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 14 0 0 0 0 0 0 0 0999 V2000 72: 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0055 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 8 2 1 0 72: 12 2 1 0 72: 12 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 24 0 0 0 0 0 0 0 0999 V2000 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 5 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 16 1 0 72: 16 17 1 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 19 21 2 0 72: 2 22 2 0 72: 17 4 1 0 72: 16 15 1 0 72: 10 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 24 0 0 0 0 0 0 0 0999 V2000 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 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1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 2 0 72: 10 5 1 0 72: 19 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 3 0 72: 9 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 3 0 72: 17 20 1 0 72: 20 21 3 0 72: 14 22 1 0 72: 22 23 1 0 72: 23 24 2 0 72: 24 25 1 0 72: 25 26 1 0 72: 26 27 1 0 72: 25 28 2 0 72: 28 29 1 0 72: 29 30 1 0 72: 8 5 1 0 72: 16 10 1 0 72: 29 22 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 3 0 72: 9 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 3 0 72: 17 20 1 0 72: 20 21 3 0 72: 14 22 1 0 72: 22 23 1 0 72: 23 24 2 0 72: 24 25 1 0 72: 25 26 1 0 72: 26 27 1 0 72: 25 28 2 0 72: 28 29 1 0 72: 29 30 1 0 72: 8 5 1 0 72: 16 10 1 0 72: 29 22 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 26 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 9 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 2 0 72: 12 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 19 22 2 0 72: 22 23 1 0 72: 23 24 1 0 72: 8 5 1 0 72: 14 10 1 0 72: 23 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 26 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 9 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 2 0 72: 12 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 19 22 2 0 72: 22 23 1 0 72: 23 24 1 0 72: 8 5 1 0 72: 14 10 1 0 72: 23 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 21 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 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1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 22 0 0 0 0 0 0 0 0999 V2000 72: 6.2286 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.4786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2286 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 9.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.9843 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 4 12 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 20 22 2 0 72: 11 5 1 0 72: 18 13 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 22 0 0 0 0 0 0 0 0999 V2000 72: 6.2286 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.4786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2286 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 5.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 7.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 4 12 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 20 22 2 0 72: 11 5 1 0 72: 18 13 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.2954 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3828 0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 6 1 1 0 72: 8 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 6 1 1 0 72: 8 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 3 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 3 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 12 0 0 0 0 0 0 0 0999 V2000 72: 6.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 3 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 7 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 12 0 0 0 0 0 0 0 0999 V2000 72: 6.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 3 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 7 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 31 34 0 0 0 0 0 0 0 0999 V2000 72: 14.1165 3.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.7462 4.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.5894 6.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.5327 3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.1624 4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.9488 3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.6895 2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.4760 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.1056 1.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.8921 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3650 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.2082 4.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.8817 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.3083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.5218 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.7353 -2.5134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4182 -2.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.9916 -3.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.9916 -4.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4182 -5.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.2998 -3.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 1 0 72: 5 6 2 0 72: 4 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 3 0 72: 11 14 1 0 72: 14 15 2 0 72: 14 16 1 0 72: 16 17 1 0 72: 17 18 3 0 72: 16 19 2 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 22 23 1 0 72: 23 24 2 0 72: 19 25 1 0 72: 25 26 1 0 72: 26 27 1 0 72: 26 28 2 0 72: 28 29 1 0 72: 29 30 2 0 72: 30 31 1 0 72: 9 6 1 0 72: 25 15 1 0 72: 24 20 1 0 72: 31 27 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 31 34 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.1317 0.0855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.1317 2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.6682 3.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2046 5.3657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5583 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.7718 2.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.1984 2.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.0801 3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.1984 4.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.7718 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5583 0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.7718 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.1421 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.6150 -1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.8285 -2.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.1988 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.3556 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 1 0 72: 5 6 2 0 72: 4 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 3 0 72: 11 14 1 0 72: 14 15 2 0 72: 14 16 1 0 72: 16 17 1 0 72: 17 18 3 0 72: 16 19 2 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 22 23 1 0 72: 23 24 2 0 72: 19 25 1 0 72: 25 26 1 0 72: 26 27 1 0 72: 26 28 2 0 72: 28 29 1 0 72: 29 30 2 0 72: 30 31 1 0 72: 9 6 1 0 72: 25 15 1 0 72: 24 20 1 0 72: 31 27 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: -0.4204 8.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4613 7.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1488 6.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7328 5.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2246 5.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.1227 3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0044 2.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.4962 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.1063 4.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.3779 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7678 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.6494 -1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8578 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 2 0 72: 13 15 1 0 72: 15 16 1 0 72: 15 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 14 7 1 0 72: 18 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: -8.6562 2.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.2296 2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.1149 1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.6883 2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3764 3.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.5736 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1470 1.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9499 4.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 2 0 72: 13 15 1 0 72: 15 16 1 0 72: 15 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 14 7 1 0 72: 18 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2020 -5.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.6286 -6.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.9404 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 9 11 1 0 72: 9 12 1 0 72: 7 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 17 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 21 23 1 0 72: 23 24 1 0 72: 19 25 2 0 72: 25 26 1 0 72: 26 27 2 0 72: 26 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 25 1 1 0 72: 16 1 1 0 72: 15 5 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 4.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 1.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.0819 -1.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7221 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7221 -2.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0211 -5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.3202 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.4418 -6.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0152 -6.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.5565 -7.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2447 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3594 -9.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 9 11 1 0 72: 9 12 1 0 72: 7 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 17 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 21 23 1 0 72: 23 24 1 0 72: 19 25 2 0 72: 25 26 1 0 72: 26 27 2 0 72: 26 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 25 1 1 0 72: 16 1 1 0 72: 15 5 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0044 2.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.4962 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.1063 4.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.3779 1.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7678 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.6494 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 4 6 2 0 72: 2 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 2 0 72: 11 1 1 0 72: 5 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8578 -2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7062 2.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0967 5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.8351 3.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.5736 1.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 4 6 2 0 72: 2 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 2 0 72: 11 1 1 0 72: 5 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 3.8971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 3.8971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 6 6 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 6 6 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 4 4 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 4 4 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 8 0 0 0 0 0 0 0 0999 V2000 72: 1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 8 0 0 0 0 0 0 0 0999 V2000 72: 1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 17 17 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 14 16 1 0 72: 14 17 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 17 17 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 14 16 1 0 72: 14 17 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 21 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2990 -2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2990 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 14 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 14 21 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7010 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4019 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 14 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 14 21 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 10 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 2 0 72: 6 7 1 0 72: 3 8 1 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 1 1 0 72: 8 7 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 10 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 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0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.7990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 1 2 0 72: 6 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 10 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 3 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 1 2 0 72: 7 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 10 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 3 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 1 2 0 72: 7 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 1 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 9 1 1 0 72: 13 8 1 0 72: 10 4 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 15 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 1 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 9 1 1 0 72: 13 8 1 0 72: 10 4 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 20 24 0 0 0 0 0 0 0 0999 V2000 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 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15 16 1 0 72: 16 17 2 0 72: 15 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 14 1 1 0 72: 20 1 1 0 72: 13 4 1 0 72: 17 6 1 0 72: 12 11 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 20 24 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 7 12 1 0 72: 12 13 2 0 72: 5 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 15 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 14 1 1 0 72: 20 1 1 0 72: 13 4 1 0 72: 17 6 1 0 72: 12 11 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 17 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 5 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 1 1 0 72: 15 1 1 0 72: 10 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 17 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 5 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 1 1 0 72: 15 1 1 0 72: 10 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 5 8 1 0 72: 8 1 1 0 72: 7 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 5 8 1 0 72: 8 1 1 0 72: 7 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 12 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 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-8.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.6727 -7.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7710 -7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9489 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.6082 -5.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.0717 -4.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.8582 -3.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.6819 -5.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1623 -7.4887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 3 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 1 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 10 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 2 0 72: 21 22 1 0 72: 22 23 1 0 72: 17 24 1 0 72: 24 14 1 0 72: 12 1 1 0 72: 23 19 2 0 72: 22 8 2 0 72: 7 5 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 28 0 0 0 0 0 0 0 0999 V2000 72: -0.0660 4.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4532 2.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.7425 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0842 5.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.4464 5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.2329 6.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0194 5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.9452 5.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.3525 5.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7791 5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.6608 4.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0820 3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.1409 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.6217 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0852 -1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.8717 -2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2413 -1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.6035 -0.9992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.4540 4.3706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 3 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 1 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 10 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 2 0 72: 21 22 1 0 72: 22 23 1 0 72: 17 24 1 0 72: 24 14 1 0 72: 12 1 1 0 72: 23 19 2 0 72: 22 8 2 0 72: 7 5 2 0 72: M END 72: 72: [14:22:14] *********************************************************** 72: 72: [14:22:14] *********************************************************** 72: [14:22:14] testCollisions 72: [14:22:14] *********************************************************** 72: 72: [14:22:14] *********************************************************** 72: [14:22:14] testAddHs 72: [14:22:14] *********************************************************** 72: 72: [14:22:14] *********************************************************** 72: [14:22:14] test198 72: [14:22:14] *********************************************************** 72: 72: [14:22:14] *********************************************************** 72: [14:22:14] test2 72: [14:22:14] *********************************************************** 72: [14:22:14] *********************************************************** 72: [14:22:14] test3 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] test4 72: 72: RDKit 2D 72: 72: 11 12 0 0 0 0 0 0 0 0999 V2000 72: 3.5200 1.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3870 1.2126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0391 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0300 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3900 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8500 -2.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4600 -5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5758 -4.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 7 3 1 0 72: 11 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 12 0 0 0 0 0 0 0 0999 V2000 72: 3.5260 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8578 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1459 -3.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5725 -4.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4577 -5.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 7 3 1 0 72: 11 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: -0.8300 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.1900 4.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.6600 3.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1000 2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0800 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.5616 1.1266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7300 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0800 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3800 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5600 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5600 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3800 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 5 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 1 1 0 72: 12 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 1.9227 -2.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4185 -2.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.0694 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2244 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.4786 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 5 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 1 1 0 72: 12 5 1 0 72: M END 72: 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] tempTest 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Issue248 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Queries 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test crashes associated with RemoveHs 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 2091304 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 2821647 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 2948402 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 2995724 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Testing a change of the depictor bond length 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 3122141 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 3135833 72: [14:22:15] Warning: stereochemistry around double bond may be incorrect in depiction. 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 3487469 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 8 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 78 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 910 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 1073 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] testConstrainedCoords 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 1112: Bad coordinate generation for H2 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test Issue 2303566 72: [14:22:15] *********************************************************** 72: [14:22:15] *********************************************************** 72: [14:22:15] Test GitHub Issue 1286: GenerateDepictionMatching2DStructure isn't matching 2D structure 72: [14:22:15] *********************************************************** 72: [14:22:15] ----------------------- 72: Testing Github issue 1691: Acetylenic hydrogens not given appropriate 2D coordinates 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Testing Github issue 2027: "linear" fragments not canonically oriented 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Test generateDepictionMatching2DStructure with refPattern and matchVect 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Test generateDepictionMatching2DStructure with allowRGroups 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Test generateDepictionMatching2DStructure with allowRGroups 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Test normalize and straighten depiction 72: [14:22:15] Finished 72: [14:22:15] ----------------------- 72: Test that ring system templates are valid 72: [14:22:15] Finished 65/272 Test #72: testDepictor ........................... Passed 0.76 sec test 73 Start 73: depictorCatch 73: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor/depictorCatch 73: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor 73: Test timeout computed to be: 7200 73: Randomness seeded to: 201762702 73: =============================================================================== 73: All tests passed (8274 assertions in 33 test cases) 73: 66/272 Test #73: depictorCatch .......................... Passed 0.43 sec test 74 Start 74: pyDepictor 74: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/Wrap/testDepictor.py" 74: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Depictor/Wrap 74: Test timeout computed to be: 7200 62: Time taken for 10000 calls to symmetrizeSSSR (legacy): 0.654232 seconds. 62: Time taken for 10000 calls to symmetrizeSSSR (new): 0.45407 seconds. 62: =============================================================================== 62: All tests passed (20018 assertions in 5 test cases) 62: 67/272 Test #62: ringSystemsTest ........................ Passed 3.00 sec test 75 Start 75: testMrvToMol 75: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse/testMrvToMol 75: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse 75: Test timeout computed to be: 7200 75: Using new chirality perception 75: Test 75: 75: rxnStereoMarkedCrossed.mrv 75: 75: Test 75: 75: DataSgroupNoFieldName.mol 75: 75: Test 75: 75: 145323811.mol 75: 75: [14:22:16] unsupported number of radical electrons 5 75: Test 75: 75: NewChiralTest.sdf 75: 75: Test 75: 75: NewChiralTest.sdf 75: 75: Test 75: 75: NewChiralTestNoChiral.sdf 75: 75: Test 75: 75: NewChiralTestNoChiral.sdf 75: 75: Test 75: 75: NewChiralTestAllChiral.sdf 75: 75: Test 75: 75: NewChiralTestAllChiral.sdf 75: 75: Test 75: 75: vendor839.sdf 75: 75: Test 75: 75: ProblemShort.mol 75: 75: [14:22:16] For a MultipleSgroup expansion, the matching orphaned bond was not found 75: The multiple sgroup will be ignored 75: Test 75: 75: badWedgeError.sdf 75: 75: Test 75: 75: CrossedDoubleBondWithChiralNbr2.sdf 75: 75: Test 75: 75: CrossedDoubleBondWithChiralNbr.sdf 75: 75: Test 75: 75: SimpleWiggleDoubleBond.sdf 75: 75: Test 75: 75: lostStereoAnd.sdf 75: 75: Test 75: 75: DoubleBondChain.sdf 75: 75: Test 75: 75: UnitsError.sdf 75: 75: Test 75: 75: StarAtom.sdf 75: 75: Test 75: 75: nonProprietary.mol 75: 75: Test 75: 75: ChiralTest.sdf 75: 75: Test 75: 75: TestBond1.mol 75: 75: Test 75: 75: Sgroup_MUL_ParentInMiddle.sdf 75: 75: Test 75: 75: BadRxn.rxn 75: 75: Test 75: 75: FalseChiral.mrv 75: 75: Test 75: 75: FalseChiral.mrv 75: 75: Test 75: 75: Cubane.mrv 75: 75: Test 75: 75: NewChiralTest.mrv 75: 75: Test 75: 75: NewChiralTest.mrv 75: 75: Test 75: 75: NewChiralTestNoChiral.mrv 75: 75: Test 75: 75: NewChiralTestNoChiral.mrv 75: 75: Test 75: 75: NewChiralTestAllChiral.mrv 75: 75: Test 75: 75: NewChiralTestAllChiral.mrv 75: 75: Test 75: 75: DataSgroupMissingUnitsDisplayed.mrv 75: 75: Test 75: 75: lostStereoAnd.mrv 75: 75: Test 75: 75: DoubleBondChain.mrv 75: 75: Test 75: 75: WigglyAndCrossed.mrv 75: 75: Test 75: 75: BondTypes.mrv 75: 75: Test 75: 75: EmbeddedSGroupSUP_MUL.mrv 75: 75: Test 75: 75: EmbeddedSgroupCOP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupDAT_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupMULTICENTER_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_MUL.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_MUL2.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSRU_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUPEXP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUPEXP_SUP2.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_MULTICENTER.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_SUP2.mrv 75: 75: Test 75: 75: RgroupBad.mrv 75: 75: Test 75: 75: valenceLessThanDrawn.mrv 75: 75: Test 75: 75: data_sgroup_no_fieldname.mrv 75: 75: Test 75: 75: data_sgroup_empty_field_data.mrv 75: 75: Test 75: 75: radical_value.mrv 75: 75: Test 75: 75: emptyOneLineAtomList.mrv 75: 75: Test 75: 75: mrvValence_value.mrv 75: 75: Test 75: 75: ChiralTest2.mrv 75: 75: Test 75: 75: ChiralTest.mrv 75: 75: Test 75: 75: SnCl2.mrv 75: 75: Test 75: 75: SnH2Cl2.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: marvin02.mrv 75: 75: Test 75: 75: marvin07.mrv 75: 75: Test 75: 75: marvin10.mrv 75: 75: Test 75: 75: marvin06.mrv 75: 75: Test 75: 75: marvin12.mrv 75: 75: Test 75: 75: EmptyMol.mrv 75: 75: Test 75: 75: Sparse.mrv 75: 75: Test 75: 75: Sparse2.mrv 75: 75: Test 75: 75: Sparse3.mrv 75: 75: Test 75: 75: MarvinNoCoords.mrv 75: 75: Test 75: 75: aspirin.mrv 75: 75: Test 75: 75: MarvinStereoGroupsZeros.mrv 75: 75: Test 75: 75: MarvinStereoGroupsAbs.mrv 75: 75: Test 75: 75: triphenylphosphine.mrv 75: 75: Test 75: 75: MarvinOldSuperGroupTest.mrv 75: 75: Test 75: 75: RadicalTests.mrv 75: 75: Test 75: 75: AnyBond.mrv 75: 75: Test 75: 75: cisBenzene.mrv 75: 75: Test 75: 75: DativeBond.mrv 75: 75: Test 75: 75: MultipleSgroup.mrv 75: 75: Test 75: 75: SgroupExpanded.mrv 75: 75: Test 75: 75: SgroupMultAttach.mrv 75: 75: Test 75: 75: MarvinMissingX2.mrv 75: 75: Test 75: 75: MarvinMissingY2.mrv 75: 75: Test 75: 75: DataSgroup.mrv 75: 75: Test 75: 75: MulticenterSgroup.mrv 75: 75: [14:22:16] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 75: [14:22:16] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 75: Test 75: 75: GenericSgroup.mrv 75: 75: Test 75: 75: MonomerSgroup.mrv 75: 75: Test 75: 75: modification_sgroup.mrv 75: 75: Test 75: 75: copolymer_sgroup.mrv 75: 75: Test 75: 75: MultipleSgroupParentInMiddleOfAtomBlock.mrv 75: 75: Test 75: 75: EmbeddedSgroups.mrv 75: 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: MarvinBadMissingMolID.mrv 75: 75: [14:22:16] 75: 75: **** 75: Test Assert 75: Expression Failed: 75: Violation occurred on line 353 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp 75: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr 75: ---------- 75: Stacktrace: 75: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 75: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 75: 2# 0x00000000000190D0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse/testMrvToMol 75: 3# 0x0000000000025E48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse/testMrvToMol 75: 4# 0x0000000000007F18 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse/testMrvToMol 75: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 75: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 75: 7# 0x00000000000088A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MarvinParse/testMrvToMol 75: ---------- 75: **** 75: 75: Test 75: 75: MarvinBadMissingAtomID.mrv 75: 75: Expected id, elementType for an atom definition in MRV file 75: Test 75: 75: MarvinBadX2.mrv 75: 75: The values x2 and y2 must be large floats in MRV file 75: Test 75: 75: MarvinBadY2.mrv 75: 75: The values x2 and y2 must be large floats in MRV file 75: Test 75: 75: MarvinBadStereoGroupsAbs.mrv 75: 75: Unrecognized group definition 75: Test 75: 75: MarvinBadElementType.mrv 75: 75: Test 75: 75: MarvinBadMissingBondID.mrv 75: 75: Test 75: 75: MarvinBadMissingBondAtomRefs 75: 75: Test 75: 75: MarvinBadMissingBondOrder.mrv 75: 75: bond must have one of: order, queryType, or convention in MRV File 75: Test 75: 75: MarvinBadMissingSruMolID.mrv 75: 75: Expected a molID in MRV file 75: Test 75: 75: MarvinBadMissingSruID.mrv 75: 75: Test 75: 75: MarvinBadMissingSruRole.mrv 75: 75: Test 75: 75: MarvinBadMissingSruAtomRef.mrv 75: 75: Test 75: 75: MarvinBadMissingSruTitle.mrv 75: 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruID.mrv 75: 75: Test 75: 75: MarvinBadSruRole.mrv 75: 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruConnect.mrv 75: 75: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachBond.mrv 75: 75: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file 75: Test 75: 75: MarvinBadSupAttachOrder.mrv 75: 75: Order for an AttachmentPoint definition must be an integer in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupMissingAttachBond.mrv 75: 75: No attachment point found for bond to the condensed atom in a superatomSgroup 75: Test 75: 75: MarvinBadSupMissingAttachOrder.mrv 75: 75: Expected atom, order and bond, for an AttachmentPoint definition in MRV file 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: Cubane.mrv 75: 75: Test 75: 75: FalseAtropisomer.mrv 75: 75: Test 75: 75: AtropEnhancedStereo.mrv 75: 75: Test 75: 75: AtropManyChirals.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced2.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced3.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced4.mrv 75: 75: Test 75: 75: BMS-986142_3d_chiral.mrv 75: 75: Test 75: 75: BMS-986142_3d.mrv 75: 75: Test 75: 75: BMS-986142_atrop1.mrv 75: 75: Test 75: 75: BMS-986142_atrop2.mrv 75: 75: Test 75: 75: BMS-986142_atrop3.mrv 75: 75: Test 75: 75: BMS-986142_atrop4.mrv 75: 75: Test 75: 75: BMS-986142_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atrop6.mrv 75: 75: Test 75: 75: BMS-986142_atrop7.mrv 75: 75: Test 75: 75: BMS-986142_atrop8.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atropBad2.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 68: [14:22:16] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 68: [14:22:16] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 68: [14:22:16] SMARTS Parse Error: syntax error while parsing: C1C)foo 68: [14:22:16] SMARTS Parse Error: check for mistakes around position 4: 68: [14:22:16] C1C)foo 68: [14:22:16] ~~~^ 68: [14:22:16] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo' 68: [14:22:16] SMILES Parse Error: extra close parentheses while parsing: C1C)foo 68: [14:22:16] SMILES Parse Error: check for mistakes around position 4: 68: [14:22:16] C1C)foo 68: [14:22:16] ~~~^ 68: [14:22:16] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo' 68: [14:22:16] 68: 68: **** 68: Pre-condition Violation 68: rootedAtAtom must be less than the number of atoms 68: Violation occurred on line 499 in file ./Code/GraphMol/SmilesParse/SmilesWrite.cpp 68: Failed Expression: params.rootedAtAtom < 0 || static_cast(params.rootedAtAtom) < mol.getNumAtoms() 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 68: 2# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSmilesParse.so.1 68: 3# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSmilesParse.so.1 68: 4# 0x000000000002E5B0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 5# 0x00000000000C0DAC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 6# 0x00000000000C2460 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 7# 0x00000000000C28B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 8# 0x0000000000094324 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 9# 0x000000000009488C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 10# 0x00000000000258D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 68: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 68: 13# 0x0000000000025960 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SmilesParse/smiTestCatch 68: ---------- 68: **** 68: 68: [14:22:16] SMILES Parse Error: syntax error while parsing: CClâ‚‚O 68: [14:22:16] SMILES Parse Error: check for mistakes around position 4: 68: [14:22:16] CClâ‚‚O 68: [14:22:16] ~~~^ 68: [14:22:16] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚O' for input: 'CClâ‚‚O' 68: [14:22:16] SMARTS Parse Error: syntax error while parsing: CClâ‚‚O 68: [14:22:16] SMARTS Parse Error: check for mistakes around position 4: 68: [14:22:16] CClâ‚‚O 68: [14:22:16] ~~~^ 68: [14:22:16] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚O' for input: 'CClâ‚‚O' 68: [14:22:16] SMILES Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 68: [14:22:16] SMILES Parse Error: check for mistakes around position 4: 68: [14:22:16] CClâ‚‚OZrâ‚‚CClO 68: [14:22:16] ~~~^ 68: [14:22:16] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 68: [14:22:16] SMARTS Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 68: [14:22:16] SMARTS Parse Error: check for mistakes around position 4: 68: [14:22:16] CClâ‚‚OZrâ‚‚CClO 68: [14:22:16] ~~~^ 68: [14:22:16] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 68: [14:22:16] SMILES Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 68: [14:22:16] SMILES Parse Error: check for mistakes around position 8: 68: [14:22:16] C[As@TB0](F)(Cl)(O)Br 68: [14:22:16] ~~~~~~~^ 68: [14:22:16] SMILES Parse Error: Failed parsing SMILES 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 68: [14:22:16] SMARTS Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 68: [14:22:16] SMARTS Parse Error: check for mistakes around position 8: 68: [14:22:16] C[As@TB0](F)(Cl)(O)Br 68: [14:22:16] ~~~~~~~^ 68: [14:22:16] SMARTS Parse Error: Failed parsing SMARTS 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 68: =============================================================================== 68: All tests passed (1879 assertions in 80 test cases) 68: 75: Test 75: 75: JDQ443_3d.mrv 75: 75: Test 75: 75: JDQ443_atrop1.mrv 75: 75: Test 75: 75: JDQ443_atrop2.mrv 75: 75: Test 75: 75: JDQ443_atrop3.mrv 75: 75: Test 75: 75: JDQ443_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 68/272 Test #68: smiTestCatch ........................... Passed 2.08 sec test 76 Start 76: fileParsersTest1 76: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 76: Test timeout computed to be: 7200 75: Test 75: 75: RP-6306_atrop1.mrv 75: 75: Test 75: 75: RP-6306_atrop2.mrv 75: 75: Test 75: 75: RP-6306_atrop3.mrv 75: 75: Test 75: 75: RP-6306_atrop4.mrv 75: 75: Test 75: 75: RP-6306_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: Test 75: 75: RP-6306_atropBad1.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 75: Test 75: 75: RP-6306_atropBad2.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 76: *************************************** 76: *************************************** 75: Test 75: 75: RP-6306_3d.mrv 75: 75: Test 75: 75: Sotorasib_atrop1.mrv 75: 75: Test 75: 75: Sotorasib_atrop2.mrv 75: 75: Test 75: 75: Sotorasib_atrop3.mrv 75: 75: Test 75: 75: Sotorasib_atrop4.mrv 75: 75: Test 75: 75: Sotorasib_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 76: [14:22:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:22:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 75: Test 75: 75: Sotorasib_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 75: Test 75: 75: Sotorasib_atropBad2.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 76: [14:22:16] bond with order 0 found on line 7. This is not part of the MDL specification. 76: [14:22:16] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 76: [14:22:16] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 76: [14:22:16] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 75: Test 75: 75: Sotorasib_3d.mrv 75: 75: Test 75: 75: ZM374979_atrop1.mrv 75: 75: Test 75: 75: ZM374979_atrop2.mrv 75: 75: Test 75: 75: ZM374979_atrop3.mrv 75: 75: Test 75: 75: ZM374979_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 76: generating smiles 76: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 76: converting back 76: check isomorphism 75: Test 75: 75: mrtx1719_3d.mrv 75: 75: Test 75: 75: mrtx1719_atrop1.mrv 75: 75: Test 75: 75: mrtx1719_atrop2.mrv 75: 75: Test 75: 75: mrtx1719_atrop3.mrv 75: 75: Test 75: 75: mrtx1719_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 74: ...............[14:22:16] SMARTS Parse Error: syntax error while parsing: invalidsmiles 74: [14:22:16] SMARTS Parse Error: check for mistakes around position 1: 74: [14:22:16] invalidsmiles 74: [14:22:16] ^ 74: [14:22:16] SMARTS Parse Error: Failed parsing SMARTS 'invalidsmiles' for input: 'invalidsmiles' 75: Test 75: 75: FalseAtropisomer.mrv 75: 75: Test 75: 75: AtropEnhancedStereo.mrv 75: 75: Test 75: 75: AtropManyChirals.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced2.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced3.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced4.mrv 75: 75: Test 75: 75: BMS-986142_3d_chiral.mrv 75: 75: Test 75: 75: BMS-986142_3d.mrv 75: 75: Test 75: 75: BMS-986142_atrop1.mrv 75: 75: Test 75: 75: BMS-986142_atrop2.mrv 75: 75: Test 75: 75: BMS-986142_atrop3.mrv 75: 75: Test 75: 75: BMS-986142_atrop4.mrv 75: 75: Test 75: 75: BMS-986142_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atrop6.mrv 75: 75: Test 75: 75: BMS-986142_atrop7.mrv 75: 75: Test 75: 75: BMS-986142_atrop8.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atropBad2.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 75: Test 75: 75: JDQ443_3d.mrv 75: 75: Test 75: 75: JDQ443_atrop1.mrv 75: 75: Test 75: 75: JDQ443_atrop2.mrv 75: 75: Test 75: 75: JDQ443_atrop3.mrv 75: 75: Test 75: 75: JDQ443_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 75: Test 75: 75: RP-6306_atrop1.mrv 75: 75: Test 75: 75: RP-6306_atrop2.mrv 75: 75: Test 75: 75: RP-6306_atrop3.mrv 75: 75: Test 75: 75: RP-6306_atrop4.mrv 75: 75: Test 75: 75: RP-6306_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: Test 75: 75: RP-6306_atropBad1.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 75: Test 75: 75: RP-6306_atropBad2.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 75: Test 75: 75: RP-6306_3d.mrv 75: 75: Test 75: 75: Sotorasib_atrop1.mrv 75: 75: Test 75: 75: Sotorasib_atrop2.mrv 75: 75: Test 75: 75: Sotorasib_atrop3.mrv 75: 75: Test 75: 75: Sotorasib_atrop4.mrv 75: 75: Test 75: 75: Sotorasib_atrop5.mrv 75: 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:22:16] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: Sotorasib_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 75: Test 75: 75: Sotorasib_atropBad2.mrv 75: 75: [14:22:16] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 75: Test 75: 75: Sotorasib_3d.mrv 75: 75: Test 75: 75: ZM374979_atrop1.mrv 75: 75: Test 75: 75: ZM374979_atrop2.mrv 75: 75: Test 75: 75: ZM374979_atrop3.mrv 75: 75: Test 75: 75: ZM374979_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 75: Test 75: 75: mrtx1719_3d.mrv 75: 75: Test 75: 75: mrtx1719_atrop1.mrv 75: 75: Test 75: 75: mrtx1719_atrop2.mrv 75: 75: Test 75: 75: mrtx1719_atrop3.mrv 75: 75: Test 75: 75: mrtx1719_atropBad1.mrv 75: 75: [14:22:16] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 75: Test 75: 75: AlexRxn.mrv 75: 75: Test 75: 75: BadReactionSign.mrv 75: 75: Test 75: 75: bondArray_node.mrv 75: 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: marvin04.mrv 75: 75: Test 75: 75: marvin08.mrv 75: 75: Test 75: 75: marvin09.mrv 75: 75: Test 75: 75: marvin11.mrv 75: 75: Test 75: 75: marvin05.mrv 75: 75: Test 75: 75: EmptyRxn.mrv 75: 75: [14:22:17] initialization failed 75: Test 75: 75: RxnNoCoords.mrv 75: 75: Test 75: 75: mrvValenceZero.mrv 75: 75: Test 75: 75: condition_coordinates_mpoint.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: aspirineSynthesisWithAttributes.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: NewChiralTest 75: 75: Test 75: 75: NewChiralTest 75: 75: Test 75: 75: NewChiralTestNoChiral 75: 75: Test 75: 75: NewChiralTestNoChiral 75: 75: Test 75: 75: NewChiralTest2 75: 75: Test 75: 75: NewChiralTest2 75: 75: Test 75: 75: NewChiralTest2AllChiral 75: 75: Test 75: 75: NewChiralTest2AllChiral 75: 75: Test 75: 75: Vendor839 75: 75: Test 75: 75: DoubleBondChain 75: 75: Test 75: 75: Na_Mg_Al_OH 75: 75: Test 75: 75: Pb 75: 75: Test 75: 75: O_Mg_Si 75: 75: Test 75: 75: SquiggleBond 75: 75: Test 75: 75: BigMacrocycle 75: 75: Test 75: 75: Smiles1 75: 69/272 Test #75: testMrvToMol ........................... Passed 1.07 sec test 77 Start 77: testAtropisomers 77: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testAtropisomers 77: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 77: Test timeout computed to be: 7200 77: [14:22:17] ---- Running with POSIX locale ----- 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:22:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:22:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: Atropisomers- 1 hits 3 misses 77: Final results: 77: Found atropisomers in TestMultInSDF.sdf - 1 hits 4 misses 70/272 Test #77: testAtropisomers ....................... Passed 0.23 sec test 78 Start 78: testSquiggleDoubleBonds 78: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testSquiggleDoubleBonds 78: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 78: Test timeout computed to be: 7200 78: Randomness seeded to: 2088239717 78: =============================================================================== 78: All tests passed (15 assertions in 3 test cases) 78: 71/272 Test #78: testSquiggleDoubleBonds ................ Passed 0.03 sec test 79 Start 79: testMolSupplier 79: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testMolSupplier 79: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 79: Test timeout computed to be: 7200 76: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:17] deprecated group abbreviation ignored on line 24 76: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 76: [14:22:17] 76: 76: **** 76: Post-condition Violation 76: Element 'Mv' not found 76: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 76: Failed Expression: anum > -1 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 9# 0x00000000000340D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 10# 0x00000000000A4B30 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 11# 0x00000000000136D4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 12# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 13# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 14# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 76: [14:22:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: [14:22:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 79: Randomness seeded to: 1766652302 79: [14:22:17] Ignoring invalid chirality label: '2_bad_chirality' 76: ---------------------------------- 76: ---------------------------------- 79: [14:22:17] Ignoring invalid chirality label: '2_bad_chirality' 76: [14:22:17] 76: 76: **** 76: Pre-condition Violation 76: rlabel out of range for MDL files 76: Violation occurred on line 872 in file ./Code/GraphMol/Atom.cpp 76: Failed Expression: rlabel >= 0 && rlabel < 100 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 76: 3# 0x000000000003FF94 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 4# 0x00000000000A4B90 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 5# 0x00000000000136D4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 8# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 74: ..... 74: ---------------------------------------------------------------------- 74: Ran 20 tests in 1.234s 74: 74: OK 79: [14:22:17] SMILES Parse Error: syntax error while parsing: fail 79: [14:22:17] SMILES Parse Error: check for mistakes around position 1: 79: [14:22:17] fail 79: [14:22:17] ^ 79: [14:22:17] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 79: [14:22:17] ERROR: Smiles parse error on line 3 79: [14:22:17] ERROR: Cannot create molecule from : 'fail' 79: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Spurious data before the first property will be ignored 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Spurious data before the first property will be ignored 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Property will be truncated after the first blank line 79: [14:22:17] ERROR: End of data field name not found 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Explicit valence for atom # 0 F, 2, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule ending on line 16 79: [14:22:17] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 79: [14:22:17] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] ERROR: Bond line too short: 'M END' on line 18 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: build: 79: [14:22:17] ERROR: Cannot convert 'foo' to unsigned int on line 557 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 79: [14:22:17] ERROR: Smiles parse error on line 1 79: [14:22:17] ERROR: Cannot create molecule from : 'c1ccccc' 79: [14:22:17] SMILES Parse Error: extra open parentheses while parsing: C(C 79: [14:22:17] SMILES Parse Error: check for mistakes around position 2: 79: [14:22:17] C(C 79: [14:22:17] ~^ 79: [14:22:17] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 79: [14:22:17] ERROR: Smiles parse error on line 3 79: [14:22:17] ERROR: Cannot create molecule from : 'C(C' 79: [14:22:17] Explicit valence for atom # 1 C, 5, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule on line 5 79: [14:22:17] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 79: [14:22:17] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule ending on line 21 79: [14:22:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule ending on line 21 79: [14:22:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule ending on line 21 79: [14:22:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Atom line too short: ' -9.6' on line 28 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Could not sanitize molecule ending on line 21 79: [14:22:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:22:17] ERROR: Atom line too short: ' -9.6' on line 28 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: [14:22:17] Ignoring invalid chirality label: '7_S_8_9_6_10' 79: [14:22:17] BEGIN SGROUP found but Sgroups NOT expected on line 26 79: [14:22:17] Found 1 SGroups when 0 were expected. 79: 79: [14:22:17] ERROR: Problems encountered parsing data fields 79: [14:22:17] ERROR: moving to the beginning of the next molecule 79: =============================================================================== 79: All tests passed (1402 assertions in 42 test cases) 79: 72/272 Test #79: testMolSupplier ........................ Passed 0.27 sec test 80 Start 80: testGeneralFileReader 80: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testGeneralFileReader 80: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 80: Test timeout computed to be: 7200 73/272 Test #74: pyDepictor ............................. Passed 1.70 sec test 81 Start 81: testMultithreadedMolSupplier 81: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testMultithreadedMolSupplier 81: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 81: Test timeout computed to be: 7200 80: [14:22:17] 80: ----------------------------------------- 80: [14:22:17] Finished: testDetermineFormat() 80: [14:22:17] ----------------------------------------- 80: 80: [14:22:17] 80: ----------------------------------------- 81: [14:22:17] 81: ----------------------------------------- 80: [14:22:17] Finished: testSdf() 80: [14:22:17] ----------------------------------------- 80: 80: [14:22:17] 80: ----------------------------------------- 76: [14:22:17] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 76: [14:22:17] SMARTS Parse Error: check for mistakes around position 1: 76: [14:22:17] MyDogHasFleas 76: [14:22:17] ^ 76: [14:22:17] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 80: [14:22:17] Finished: testSmi() 80: [14:22:17] ----------------------------------------- 80: 80: [14:22:17] 80: ----------------------------------------- 76: [14:22:17] Empty atom list: 'M ALS 1 0 F' on line 8. 76: C 76: [14:22:17] ------------------------------------- 76: [14:22:17] Test multithreading Locale Switching 76: [14:22:17] Test multithreading (Done) 76: [14:22:17] ------------------------------------- 80: [14:22:17] Finished: testMae() 80: [14:22:17] ----------------------------------------- 80: 80: [14:22:17] 80: ----------------------------------------- 80: [14:22:17] Finished: testTdt() 80: [14:22:17] ----------------------------------------- 80: 74/272 Test #80: testGeneralFileReader .................. Passed 0.10 sec test 82 Start 82: testMolWriter 82: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testMolWriter 82: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 82: Test timeout computed to be: 7200 76: *************************************** 76: *************************************** 76: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:22:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:22:17] bond with order 0 found on line 7. This is not part of the MDL specification. 76: [14:22:17] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 76: [14:22:17] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 76: [14:22:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: generating smiles 76: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 76: converting back 76: check isomorphism 82: [14:22:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 82: 0.40201265 0.40201265 82: -0.13299436 -0.13299436 82: 1.00000017 1.00000017 82: 0.8762226 0.8762226 82: 0.9973909 0.9973909 82: 1.00000003 1.00000003 82: 0.36613799 0.36613799 82: 2.1107185 2.1107185 82: 0.99999982 0.99999982 82: 2.48696157 2.48696157 82: 1.00479935 1.00479935 82: 0.99999999 0.99999999 82: 3.03311841 3.03311841 82: 2.23739955 2.23739955 82: 1.0000001 1.0000001 82: 3.00772337 3.00772337 82: 0.37399294 0.37399294 82: 2.07713325 2.07713325 82: 3.0077234 3.0077234 82: 0.37399312 0.37399312 82: -0.07713336 -0.07713336 82: [14:22:17] bond with order 0 found on line 11. This is not part of the MDL specification. 82: [14:22:17] bond with order 0 found on line 16. This is not part of the MDL specification. 75/272 Test #82: testMolWriter .......................... Passed 0.27 sec test 83 Start 83: testTplParser 83: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testTplParser 83: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 83: Test timeout computed to be: 7200 76/272 Test #83: testTplParser .......................... Passed 0.03 sec test 84 Start 84: testMol2ToMol 84: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testMol2ToMol 84: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 84: Test timeout computed to be: 7200 77/272 Test #84: testMol2ToMol .......................... Passed 0.03 sec test 85 Start 85: testSequence 85: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testSequence 85: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 85: Test timeout computed to be: 7200 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 85: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 85: HELM: PEPTIDE1{T.T.C.C.P.S.I.V.A.R.S.N.F.N.V.C.R.L.P.G.T.P.E.A.I.C.A.T.Y.T.G.C.I.I.I.P.G.A.T.C.P.G.D.Y.A.N}$$$$ 85: Smiles: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O 85: PDB: 85: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 5 85: CONECT 3 4 4 8 85: CONECT 5 6 7 85: CONECT 8 9 85: CONECT 9 10 12 85: CONECT 10 11 11 15 85: CONECT 12 13 14 85: CONECT 15 16 85: CONECT 16 17 19 85: CONECT 17 18 18 21 85: CONECT 19 20 85: CONECT 21 22 85: CONECT 22 23 25 85: CONECT 23 24 24 27 85: CONECT 25 26 85: CONECT 27 28 33 85: CONECT 28 29 31 85: CONECT 29 30 30 34 85: CONECT 31 32 85: CONECT 32 33 85: CONECT 34 35 85: CONECT 35 36 38 85: CONECT 36 37 37 40 85: CONECT 38 39 85: CONECT 40 41 85: CONECT 41 42 44 85: CONECT 42 43 43 48 85: CONECT 44 45 46 85: CONECT 46 47 85: CONECT 48 49 85: CONECT 49 50 52 85: CONECT 50 51 51 55 85: CONECT 52 53 54 85: CONECT 55 56 85: CONECT 56 57 59 85: CONECT 57 58 58 60 85: CONECT 60 61 85: CONECT 61 62 64 85: CONECT 62 63 63 71 85: CONECT 64 65 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 67 68 85: CONECT 68 69 69 70 85: CONECT 71 72 85: CONECT 72 73 75 85: CONECT 73 74 74 77 85: CONECT 75 76 85: CONECT 77 78 85: CONECT 78 79 81 85: CONECT 79 80 80 85 85: CONECT 81 82 85: CONECT 82 83 83 84 85: CONECT 85 86 85: CONECT 86 87 89 85: CONECT 87 88 88 96 85: CONECT 89 90 85: CONECT 90 91 91 92 85: CONECT 91 93 85: CONECT 92 94 94 85: CONECT 93 95 95 85: CONECT 94 95 85: CONECT 96 97 85: CONECT 97 98 100 85: CONECT 98 99 99 104 85: CONECT 100 101 85: CONECT 101 102 102 103 85: CONECT 104 105 85: CONECT 105 106 108 85: CONECT 106 107 107 111 85: CONECT 108 109 110 85: CONECT 111 112 85: CONECT 112 113 115 85: CONECT 113 114 114 117 85: CONECT 115 116 85: CONECT 117 118 85: CONECT 118 119 121 85: CONECT 119 120 120 128 85: CONECT 121 122 85: CONECT 122 123 85: CONECT 123 124 85: CONECT 124 125 85: CONECT 125 126 126 127 85: CONECT 128 129 85: CONECT 129 130 132 85: CONECT 130 131 131 136 85: CONECT 132 133 85: CONECT 133 134 135 85: CONECT 136 137 142 85: CONECT 137 138 140 85: CONECT 138 139 139 143 85: CONECT 140 141 85: CONECT 141 142 85: CONECT 143 144 85: CONECT 144 145 85: CONECT 145 146 146 147 85: CONECT 147 148 85: CONECT 148 149 151 85: CONECT 149 150 150 154 85: CONECT 151 152 153 85: CONECT 154 155 160 85: CONECT 155 156 158 85: CONECT 156 157 157 161 85: CONECT 158 159 85: CONECT 159 160 85: CONECT 161 162 85: CONECT 162 163 165 85: CONECT 163 164 164 170 85: CONECT 165 166 85: CONECT 166 167 85: CONECT 167 168 168 169 85: CONECT 170 171 85: CONECT 171 172 174 85: CONECT 172 173 173 175 85: CONECT 175 176 85: CONECT 176 177 179 85: CONECT 177 178 178 183 85: CONECT 179 180 181 85: CONECT 181 182 85: CONECT 183 184 85: CONECT 184 185 187 85: CONECT 185 186 186 189 85: CONECT 187 188 85: CONECT 189 190 85: CONECT 190 191 193 85: CONECT 191 192 192 194 85: CONECT 194 195 85: CONECT 195 196 198 85: CONECT 196 197 197 201 85: CONECT 198 199 200 85: CONECT 201 202 85: CONECT 202 203 205 85: CONECT 203 204 204 213 85: CONECT 205 206 85: CONECT 206 207 208 208 85: CONECT 207 209 209 85: CONECT 208 210 85: CONECT 209 211 85: CONECT 210 211 211 85: CONECT 211 212 85: CONECT 213 214 85: CONECT 214 215 217 85: CONECT 215 216 216 220 85: CONECT 217 218 219 85: CONECT 220 221 85: CONECT 221 222 85: CONECT 222 223 223 224 85: CONECT 224 225 85: CONECT 225 226 228 85: CONECT 226 227 227 230 85: CONECT 228 229 85: CONECT 230 231 85: CONECT 231 232 234 85: CONECT 232 233 233 238 85: CONECT 234 235 236 85: CONECT 236 237 85: CONECT 238 239 85: CONECT 239 240 242 85: CONECT 240 241 241 246 85: CONECT 242 243 244 85: CONECT 244 245 85: CONECT 246 247 85: CONECT 247 248 250 85: CONECT 248 249 249 254 85: CONECT 250 251 252 85: CONECT 252 253 85: CONECT 254 255 260 85: CONECT 255 256 258 85: CONECT 256 257 257 261 85: CONECT 258 259 85: CONECT 259 260 85: CONECT 261 262 85: CONECT 262 263 85: CONECT 263 264 264 265 85: CONECT 265 266 85: CONECT 266 267 269 85: CONECT 267 268 268 270 85: CONECT 270 271 85: CONECT 271 272 274 85: CONECT 272 273 273 277 85: CONECT 274 275 276 85: CONECT 277 278 85: CONECT 278 279 281 85: CONECT 279 280 280 283 85: CONECT 281 282 85: CONECT 283 284 289 85: CONECT 284 285 287 85: CONECT 285 286 286 290 85: CONECT 287 288 85: CONECT 288 289 85: CONECT 290 291 85: CONECT 291 292 85: CONECT 292 293 293 294 85: CONECT 294 295 85: CONECT 295 296 298 85: CONECT 296 297 297 302 85: CONECT 298 299 85: CONECT 299 300 300 301 85: CONECT 302 303 85: CONECT 303 304 306 85: CONECT 304 305 305 314 85: CONECT 306 307 85: CONECT 307 308 309 309 85: CONECT 308 310 310 85: CONECT 309 311 85: CONECT 310 312 85: CONECT 311 312 312 85: CONECT 312 313 85: CONECT 314 315 85: CONECT 315 316 318 85: CONECT 316 317 317 319 85: CONECT 319 320 85: CONECT 320 321 323 85: CONECT 321 322 322 327 85: CONECT 323 324 85: CONECT 324 325 325 326 85: END 85: 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 85: Sequence: CYIQNCPLG 85: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ 85: Smiles: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 85: PDB: 85: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N 85: CONECT 1 2 85: CONECT 2 3 5 85: CONECT 3 4 4 7 85: CONECT 5 6 85: CONECT 6 49 85: CONECT 7 8 85: CONECT 8 9 11 85: CONECT 9 10 10 19 85: CONECT 11 12 85: CONECT 12 13 14 14 85: CONECT 13 15 15 85: CONECT 14 16 85: CONECT 15 17 85: CONECT 16 17 17 85: CONECT 17 18 85: CONECT 19 20 85: CONECT 20 21 23 85: CONECT 21 22 22 27 85: CONECT 23 24 25 85: CONECT 25 26 85: CONECT 27 28 85: CONECT 28 29 31 85: CONECT 29 30 30 36 85: CONECT 31 32 85: CONECT 32 33 85: CONECT 33 34 34 35 85: CONECT 36 37 85: CONECT 37 38 40 85: CONECT 38 39 39 44 85: CONECT 40 41 85: CONECT 41 42 42 43 85: CONECT 44 45 85: CONECT 45 46 48 85: CONECT 46 47 47 50 85: CONECT 48 49 85: CONECT 50 51 56 85: CONECT 51 52 54 85: CONECT 52 53 53 57 85: CONECT 54 55 85: CONECT 55 56 85: CONECT 57 58 85: CONECT 58 59 61 85: CONECT 59 60 60 65 85: CONECT 61 62 85: CONECT 62 63 64 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 67 68 68 69 85: END 85: 85: Sequence: LfPVXLfPVX 85: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$ 85: Smiles: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O 85: PDB: 85: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N 85: CONECT 1 2 77 85: CONECT 2 3 5 85: CONECT 3 4 4 9 85: CONECT 5 6 85: CONECT 6 7 8 85: CONECT 9 10 85: CONECT 10 11 13 85: CONECT 11 12 12 20 85: CONECT 13 14 85: CONECT 14 15 15 16 85: CONECT 15 17 85: CONECT 16 18 18 85: CONECT 17 19 19 85: CONECT 18 19 85: CONECT 20 21 26 85: CONECT 21 22 24 85: CONECT 22 23 23 27 85: CONECT 24 25 85: CONECT 25 26 85: CONECT 27 28 85: CONECT 28 29 31 85: CONECT 29 30 30 34 85: CONECT 31 32 33 85: CONECT 34 35 85: CONECT 35 36 38 85: CONECT 36 37 37 42 85: CONECT 38 39 85: CONECT 39 40 85: CONECT 40 41 85: CONECT 42 43 85: CONECT 43 44 46 85: CONECT 44 45 45 50 85: CONECT 46 47 85: CONECT 47 48 49 85: CONECT 50 51 85: CONECT 51 52 54 85: CONECT 52 53 53 61 85: CONECT 54 55 85: CONECT 55 56 56 57 85: CONECT 56 58 85: CONECT 57 59 59 85: CONECT 58 60 60 85: CONECT 59 60 85: CONECT 61 62 67 85: CONECT 62 63 65 85: CONECT 63 64 64 68 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 68 69 85: CONECT 69 70 72 85: CONECT 70 71 71 75 85: CONECT 72 73 74 85: CONECT 75 76 85: CONECT 76 77 79 85: CONECT 77 78 78 85: CONECT 79 80 85: CONECT 80 81 85: CONECT 81 82 85: END 85: 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 78/272 Test #85: testSequence ........................... Passed 0.03 sec test 86 Start 86: testExtendedStereoParsing 86: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testExtendedStereoParsing 86: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 86: Test timeout computed to be: 7200 79/272 Test #86: testExtendedStereoParsing .............. Passed 0.02 sec test 87 Start 87: fileParsersCatchTest 87: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 87: Test timeout computed to be: 7200 87: Randomness seeded to: 2316517014 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 29 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 87: [14:22:18] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 87: [14:22:18] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 35 87: [14:22:18] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 87: [14:22:18] SGroup SAP line too short: 'M SAP 2 1 12' on line 38 87: [14:22:18] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 87: [14:22:18] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 87: [14:22:18] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup 3 referenced on line 40 not found. 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no bonds 87: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: !d_bonds.empty() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x000000000006C304 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] SGroup 3 referenced on line 40 not found. 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no bonds 87: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: !d_bonds.empty() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000006C368 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 15# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] no bonds 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup line too short: 'M SBV 1 6' on line 42 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] SGroup line too short: 'M SBL 2 3 9 10' on line 46 87: [14:22:18] SGroup 2 is invalid and will be ignored 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x000000000006CAB4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CB18 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] bookmark not found 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bond is not part of the SubstanceGroup 87: Violation occurred on line 200 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CB18 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] bond is not part of the SubstanceGroup 87: [14:22:18] SGroup 2 is invalid and will be ignored 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x000000000006CD44 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CDA8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] bookmark not found 87: [14:22:18] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup. 87: [14:22:18] SGroup 2 is invalid and will be ignored 87: [14:22:18] invalid value in V3000 array 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] invalid value in V3000 array 87: [14:22:18] SGroup 1 is invalid and will be ignored 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000006B334 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 19# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000006B3B0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] bookmark not found 87: [14:22:18] SGroup 2 is invalid and will be ignored 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000006B604 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 19# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000006B680 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] bookmark not found 87: [14:22:18] SGroup 2 is invalid and will be ignored 87: [14:22:18] Explicit valence for atom # 2 O, 3, is greater than permitted 87: [14:22:18] Explicit valence for atom # 1 O, 3, is greater than permitted 87: [14:22:18] Explicit valence for atom # 1 C, 5, is greater than permitted 87: [14:22:18] sanitize [14:22:18] UNK: [14:22:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:22:18] skipping block at line 7: 'BEGIN ATOM' 87: ATOM 1 CHLO CHL 0 0.000 0.000 0.000 1.00 0.00 CL 87: END 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 171 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057908 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 186 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057AA8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 411 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057DE8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 268 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000058088 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 595 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 87: Failed Expression: dp_sInStream != nullptr 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000058288 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] Found a SCD/SED line with missing/empty SDT specification at line 21 87: [14:22:18] Found a SCD/SED line with missing/empty SDT specification at line 20 87: [14:22:18] BEGIN SGROUP line not found on line 14 87: [14:22:18] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped. 87: [14:22:18] END SGROUP line not found on line 19 87: [14:22:18] END SGROUP line not found on line 21 87: [14:22:18] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring. 87: [14:22:18] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring. 87: [14:22:18] 87: 87: **** 87: Range Error 87: idx 87: Violation occurred on line 322 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: 99 < 9 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 87: 3# 0x00000000000D9E2C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000009F570 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x0000000000053100 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring. 87: [14:22:18] Multiple ATTCHPT values for atom 2 on line 9 87: [14:22:18] Found a SCD/SED line with missing/empty SDT specification at line 12 87: [14:22:18] SMARTS Parse Error: syntax error while parsing: [#6;R 87: [14:22:18] SMARTS Parse Error: check for mistakes around position 5: 87: [14:22:18] [#6;R 87: [14:22:18] ~~~~^ 87: [14:22:18] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R' 87: [14:22:18] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it. 87: [14:22:18] Skipping empty SMARTS value for SMARTSQ. 87: [14:22:18] unrecognized QUERYOP '>' for SMARTSQ. Query ignored. 87: [14:22:18] Found a SCD/SED line with missing/empty SDT specification at line 12 87: [14:22:18] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:22:18] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:22:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:22:18] WARNING: Skipping property bar because the value includes an illegal blank line 87: [14:22:18] WARNING: Skipping property baz because the value includes an illegal blank line 87: [14:22:18] WARNING: Skipping property bletch 87: nope because the name includes a newline 87: [14:22:18] WARNING: Skipping property bletch 87: nope2 because the name includes a newline 87: [14:22:18] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000D0214 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000D2694 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000003A260 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000D0214 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000D2694 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x0000000000039C48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000003A200 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 9# 0x0000000000039F60 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] atom 3 has a negative isotope value. line: 15 87: [14:22:18] Ignoring invalid chirality label: '2_bad_chirality' 87: [14:22:18] 87: 87: **** 87: Pre-condition Violation 87: no input stream 87: Violation occurred on line 562 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 87: Failed Expression: dp_sInStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 87: 4# 0x0000000000075324 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:22:18] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:22:18] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[14:22:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:22:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:22:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:22:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:22:18] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 76: [14:22:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:22:18] deprecated group abbreviation ignored on line 24 76: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 76: [14:22:18] 76: 76: **** 76: Post-condition Violation 76: Element 'Mv' not found 76: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 76: Failed Expression: anum > -1 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFileParsers.so.1 76: 9# 0x00000000000340D8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 10# 0x00000000000A4B30 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 11# 0x0000000000013784 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 12# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 13# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 14# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 76: [14:22:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: [14:22:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: ---------------------------------- 76: ---------------------------------- 76: [14:22:18] 76: 76: **** 76: Pre-condition Violation 76: rlabel out of range for MDL files 76: Violation occurred on line 872 in file ./Code/GraphMol/Atom.cpp 76: Failed Expression: rlabel >= 0 && rlabel < 100 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 76: 3# 0x000000000003FF94 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 4# 0x00000000000A4B90 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 5# 0x0000000000013784 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 8# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 76: [14:22:18] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 76: [14:22:18] SMARTS Parse Error: check for mistakes around position 1: 76: [14:22:18] MyDogHasFleas 76: [14:22:18] ^ 76: [14:22:18] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 76: [14:22:18] Empty atom list: 'M ALS 1 0 F' on line 8. 80/272 Test #76: fileParsersTest1 ....................... Passed 2.15 sec test 88 Start 88: macromolsCatchTest 88: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/macromolsCatchTest 88: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 88: Test timeout computed to be: 7200 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 5: Randomness seeded to: 3668680225 5: =============================================================================== 5: All tests passed (120009 assertions in 2 test cases) 5: 81/272 Test #5: testConcurrentQueue .................... Passed 12.19 sec test 89 Start 89: testPropertyLists 89: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/testPropertyLists 89: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 89: Test timeout computed to be: 7200 89: Randomness seeded to: 450015242 89: [14:22:21] Property list atom.iprop.TooLong has incompatible size, 5 elements found; expecting 3. Ignoring it. 89: =============================================================================== 89: All tests passed (115 assertions in 4 test cases) 89: 82/272 Test #89: testPropertyLists ...................... Passed 0.03 sec test 90 Start 90: XYZFileParserCatchTest 90: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/XYZFileParserCatchTest 90: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 90: Test timeout computed to be: 7200 90: Randomness seeded to: 3436980448 90: =============================================================================== 90: All tests passed (100 assertions in 2 test cases) 90: 83/272 Test #90: XYZFileParserCatchTest ................. Passed 0.02 sec test 91 Start 91: cdxmlParserCatchTest 91: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/cdxmlParserCatchTest 91: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 91: Test timeout computed to be: 7200 91: Randomness seeded to: 598471622 91: [14:22:21] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: [14:22:21] Explicit valence for atom # 3 N, 4, is greater than permitted 91: [14:22:21] CDXMLParser: failed sanitizing skipping fragment 32 91: [14:22:21] Bad bond in CDXML skipping fragment 58... 91: [14:22:21] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: [14:22:21] Bad bond in CDXML skipping fragment 58... 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] WARNING: not removing hydrogen atom without neighbors 91: [14:22:21] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document. 91: [14:22:21] Incomplete atom labelling, cannot make bond 91: [14:22:21] Incomplete atom labelling, cannot make bond 91: [14:22:21] Incomplete atom labelling, cannot make bond 91: [14:22:21] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 91: [14:22:21] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 91: [14:22:21] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast 91: [14:22:21] Failed to parse XML fragment 5 node: b attribute: Order: 5 91: [14:22:21] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: =============================================================================== 91: All tests passed (348 assertions in 11 test cases) 91: 84/272 Test #91: cdxmlParserCatchTest ................... Passed 0.14 sec test 92 Start 92: molfileStereoCatchTest 92: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/molfileStereoCatchTest 92: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 92: Test timeout computed to be: 7200 92: Randomness seeded to: 3903924475 92: [14:22:22] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:22:22] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:22:22] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:22:22] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: =============================================================================== 92: All tests passed (187 assertions in 8 test cases) 92: 85/272 Test #92: molfileStereoCatchTest ................. Passed 0.03 sec test 93 Start 93: connectTheDotsTest 93: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/connectTheDotsTest 93: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 93: Test timeout computed to be: 7200 93: Randomness seeded to: 3110240834 93: [14:22:22] WARNING: not removing hydrogen atom without neighbors 93: [14:22:22] WARNING: not removing hydrogen atom without neighbors 93: [14:22:22] WARNING: not removing hydrogen atom without neighbors 93: [14:22:22] WARNING: not removing hydrogen atom without neighbors 93: =============================================================================== 93: All tests passed (18 assertions in 2 test cases) 93: 86/272 Test #93: connectTheDotsTest ..................... Passed 0.02 sec test 94 Start 94: v2MolSuppliers 94: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/v2MolSuppliers 94: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 94: Test timeout computed to be: 7200 94: Randomness seeded to: 3727608948 94: [14:22:22] Ignoring invalid chirality label: '12_R_1_3_4_5' 94: [14:22:22] Ignoring invalid chirality label: '12_ANR_1_3_4_15' 94: [14:22:22] Ignoring invalid chirality label: '2_S_1_3_4' 94: [14:22:22] Ignoring invalid chirality label: '2_ANS_1_3_4_5_2' 94: =============================================================================== 94: All tests passed (24 assertions in 6 test cases) 94: 87/272 Test #94: v2MolSuppliers ......................... Passed 0.02 sec test 95 Start 95: v2FileParsersCatchTest 95: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/v2FileParsersCatchTest 95: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 95: Test timeout computed to be: 7200 95: Randomness seeded to: 226377010 95: =============================================================================== 95: All tests passed (9 assertions in 2 test cases) 95: 88/272 Test #95: v2FileParsersCatchTest ................. Passed 0.02 sec test 96 Start 96: atropisomersCatch 96: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/atropisomersCatch 96: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 96: Test timeout computed to be: 7200 96: Randomness seeded to: 2867558806 96: [14:22:22] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 96: [14:22:22] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 96: =============================================================================== 96: All tests passed (88 assertions in 3 test cases) 96: 89/272 Test #96: atropisomersCatch ...................... Passed 0.02 sec test 97 Start 97: fileParsersIteratorsTest 97: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/fileParsersIteratorsTest 97: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 97: Test timeout computed to be: 7200 97: Randomness seeded to: 2923285572 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Bond line too short: 'M END' on line 76 97: [14:22:22] ERROR: moving to the beginning of the next molecule 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Bond line too short: 'M END' on line 76 97: [14:22:22] ERROR: moving to the beginning of the next molecule 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Bond line too short: 'M END' on line 76 97: [14:22:22] ERROR: moving to the beginning of the next molecule 97: [14:22:22] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule ending on line 36 97: [14:22:22] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:22:22] ERROR: Bond line too short: 'M END' on line 76 97: [14:22:22] ERROR: moving to the beginning of the next molecule 97: [14:22:22] Explicit valence for atom # 1 F, 2, is greater than permitted 97: [14:22:22] ERROR: Could not sanitize molecule on line 2 97: [14:22:22] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 97: [14:22:22] Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:22:22] Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:22:22] ERROR: Could not sanitize molecule on line 4 97: [14:22:22] ERROR: Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:22:22] SMILES Parse Error: unclosed ring for input: 'c1cc' 97: [14:22:22] ERROR: Smiles parse error on line 5 97: [14:22:22] ERROR: Cannot create molecule from : 'c1cc' 53: Randomness seeded to: 178577265 53: [14:22:23] Conflicting single bond directions around double bond at index 8. 53: [14:22:23] BondStereo set to STEREONONE and single bond directions set to NONE. 53: =============================================================================== 53: All tests passed (12867 assertions in 17 test cases) 53: 90/272 Test #53: canonTestsCatch ........................ Passed 11.64 sec test 98 Start 98: multithreadedSupplierCatchTest 98: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest 98: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FileParsers 98: Test timeout computed to be: 7200 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 98: Randomness seeded to: 1698075223 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:22:23] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 29: All 191 tests passed 29: done 29: ------------------------------------- 29: Unit tests for all MMFF constraint terms. 29: 10.0003 88: Randomness seeded to: 4233767510 88: [14:22:23] 3D constraint information in mol block ignored at line 46 88: [14:22:23] 3D constraint information in mol block ignored at line 46 88: [14:22:23] 3D constraint information in mol block ignored at line 58 88: [14:22:23] 3D constraint information in mol block ignored at line 58 88: [14:22:23] 3D constraint information in mol block ignored at line 46 88: =============================================================================== 88: All tests passed (381 assertions in 3 test cases) 88: 91/272 Test #88: macromolsCatchTest ..................... Passed 5.08 sec test 99 Start 99: testSubstructMatch 99: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct 99: Test timeout computed to be: 7200 29: done 29: ------------------------------------- 29: Unit test for MMFF TorsionConstraint close to 0 degrees. 29: done 29: ------------------------------------- 29: Unit tests for copying MMFF ForceFields. 29: done 29: ------------------------------------- 29: Unit test for MMFF butane scan. 98: [14:22:24] Explicit valence for atom # 9 N, 5, is greater than permitted 98: [14:22:24] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:22:24] Explicit valence for atom # 4 Al, 6, is greater than permitted 98: [14:22:24] Explicit valence for atom # 10 Si, 6, is greater than permitted 98: [14:22:24] Explicit valence for atom # 2 O, 4, is greater than permitted 98: [14:22:24] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:22:24] Explicit valence for atom # 3 Be, 4, is greater than permitted 98: [14:22:24] Explicit valence for atom # 27 P, 6, is greater than permitted 29: done 92/272 Test #29: testMMFFForceField ..................... Passed 14.54 sec test 100 Start 100: substructTestCatch 100: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/substructTestCatch 100: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct 100: Test timeout computed to be: 7200 99: Randomness seeded to: 3434568070 99: [14:22:24] 99: 99: **** 99: Pre-condition Violation 99: matches must not be empty 99: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 99: Failed Expression: !matches.empty() 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 99: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 99: 3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 99: 4# 0x000000000003BC28 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 5# 0x000000000007A82C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 6# 0x000000000007BEE0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 7# 0x000000000007C338 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 8# 0x000000000004DA04 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 9# 0x000000000004DF6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 10# 0x000000000001F568 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 13# 0x000000000001F5F0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: ---------- 99: **** 99: 99: [14:22:24] 99: 99: **** 99: Pre-condition Violation 99: matches must not be empty 99: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 99: Failed Expression: !matches.empty() 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 99: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 99: 3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 99: 4# 0x000000000003BCC4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 5# 0x000000000007A82C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 6# 0x000000000007BEE0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 7# 0x000000000007C338 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 8# 0x000000000004DA04 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 9# 0x000000000004DF6C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 10# 0x000000000001F568 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 13# 0x000000000001F5F0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Substruct/testSubstructMatch 99: ---------- 99: **** 99: 99: =============================================================================== 99: All tests passed (60370 assertions in 25 test cases) 99: 93/272 Test #99: testSubstructMatch ..................... Passed 0.50 sec test 101 Start 101: testGenericGroups 101: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GenericGroups/testGenericGroups 101: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GenericGroups 101: Test timeout computed to be: 7200 98: [14:22:24] Explicit valence for atom # 9 N, 5, is greater than permitted 98: [14:22:24] Explicit valence for atom # 3 Al, 6, is greater than permitted 100: Randomness seeded to: 2520279558 100: [14:22:24] Substructure search was interrupted, result may not include all matches 100: =============================================================================== 100: All tests passed (321 assertions in 17 test cases) 100: 98: [14:22:24] Explicit valence for atom # 4 Al, 6, is greater than permitted 94/272 Test #100: substructTestCatch ..................... Passed 0.28 sec test 102 Start 102: testReaction 102: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/testReaction 102: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions 102: Test timeout computed to be: 7200 98: [14:22:24] Explicit valence for atom # 10 Si, 6, is greater than permitted 102: smi: O=C1CNC(=O)CN1 102: 1: O=C1CNC(=O)CN1 102: 2: COOC 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 2: 102: [14:22:24] [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:22:24] ~^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 102: O=C1CNC(=O)CN1 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:22:24] atom 0 in product 0 has multiple charge specifications. 102: mass: 15.0001 102: Oc1ccccn1 102: Oc1ccc[nH]1 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 1: 102: [14:22:24] ([C:1](=O)O.[C:2] 102: [14:22:24] ^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: ([C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 1: 102: [14:22:24] ([C:2] 102: [14:22:24] ^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 11: 102: [14:22:24] [C:1](=O)O).[C:2] 102: [14:22:24] ~~~~~~~~~~^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: [C:2]) 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 6: 102: [14:22:24] [C:2]) 102: [14:22:24] ~~~~~^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])' 102: [14:22:24] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:22:24] SMILES Parse Error: check for mistakes around position 2: 102: [14:22:24] [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:22:24] ~^ 102: [14:22:24] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 102: [14:22:24] reactant 2 has no mapped atoms. 102: [14:22:24] >> Atoms within one molecule have different RXN roles. 102: [14:22:24] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 1: 102: [14:22:24] ([C:1][C:2] 102: [14:22:24] ^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: ([C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 1: 102: [14:22:24] ([C:2] 102: [14:22:24] ^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: [C:1][C:2]) 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 11: 102: [14:22:24] [C:1][C:2]) 102: [14:22:24] ~~~~~~~~~~^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])' 102: [14:22:24] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2] 102: [14:22:24] SMARTS Parse Error: check for mistakes around position 6: 102: [14:22:24] [C:1]).[C:2] 102: [14:22:24] ~~~~~^ 102: [14:22:24] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]' 102: [14:22:24] reactant 0 has no mapped atoms. 102: [14:22:24] reactant 1 has no mapped atoms. 102: [14:22:24] reactant 3 has no mapped atoms. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 5 found multiple times. 102: [14:22:24] product atom-mapping number 6 found multiple times. 102: [14:22:24] product atom-mapping number 7 found multiple times. 102: [14:22:24] product atom-mapping number 8 found multiple times. 102: [14:22:24] product atom-mapping number 12 found multiple times. 102: [14:22:24] product atom-mapping number 9 found multiple times. 102: [14:22:24] product atom-mapping number 10 found multiple times. 102: [14:22:24] product atom-mapping number 11 found multiple times. 102: [14:22:24] reactant 0 has no mapped atoms. 102: [14:22:24] reactant 1 has no mapped atoms. 102: [14:22:24] reactant 3 has no mapped atoms. 102: [14:22:24] reactant atom-mapping number 19 found multiple times. 102: [14:22:24] reactant atom-mapping number 25 found multiple times. 102: [14:22:24] reactant atom-mapping number 20 found multiple times. 102: [14:22:24] reactant atom-mapping number 21 found multiple times. 102: [14:22:24] reactant atom-mapping number 22 found multiple times. 102: [14:22:24] reactant atom-mapping number 23 found multiple times. 102: [14:22:24] reactant atom-mapping number 24 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 5 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 5 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 5 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 5 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: F[C@](Cl)(Br)O[C@](F)(Cl)Br 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 4 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:22:24] product atom-mapping number 3 found multiple times. 102: [14:22:24] product atom-mapping number 2 found multiple times. 102: [14:22:24] product atom-mapping number 1 found multiple times. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:22:24] product atom-mapping number 6 not found in reactants. 102: [14:22:24] product atom-mapping number 7 not found in reactants. 102: [14:22:24] product atom-mapping number 8 not found in reactants. 102: [14:22:24] product atom-mapping number 7 not found in reactants. 102: [14:22:24] product atom-mapping number 8 not found in reactants. 102: [14:22:24] product atom-mapping number 9 not found in reactants. 102: [14:22:24] product atom-mapping number 10 not found in reactants. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 6 102: [14:22:24] product atom-mapping number 7 not found in reactants. 102: [14:22:24] product atom-mapping number 8 not found in reactants. 102: [14:22:24] product atom-mapping number 9 not found in reactants. 102: [14:22:24] product atom-mapping number 10 not found in reactants. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 6 102: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 102: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 102: [14:22:24] product atom-mapping number 17 not found in reactants. 102: [14:22:24] product atom-mapping number 18 not found in reactants. 102: [14:22:24] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 12 98: [14:22:24] Explicit valence for atom # 2 O, 4, is greater than permitted 98: [14:22:24] [14:22:24] Explicit valence for atom # 3 Be, 4, is greater than permittedExplicit valence for atom # 3 Al, 6, is greater than permitted 98: 98: [14:22:24] Explicit valence for atom # 27 P, 6, is greater than permitted 102: [14:22:24] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 102: [14:22:24] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 102: 102: [14:22:24] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels 102: ------------- 102: CCOc1ccccc1 98: =============================================================================== 98: All tests passed (21562 assertions in 3 test cases) 98: 95/272 Test #98: multithreadedSupplierCatchTest ......... Passed 1.34 sec test 103 Start 103: testReactionFingerprints 103: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/testReactionFingerprints 103: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions 103: Test timeout computed to be: 7200 101: Randomness seeded to: 2262937074 101: =============================================================================== 101: All tests passed (11480 assertions in 38 test cases) 101: 96/272 Test #101: testGenericGroups ...................... Passed 0.47 sec test 104 Start 104: testEnumeration 104: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/testEnumeration 104: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions 104: Test timeout computed to be: 7200 103: [14:22:24] ------------------------------------- 103: [14:22:24] Test Reaction StructuralFingerprint 103: [14:22:24] ------------------------------------- 103: [14:22:24] Test Reaction DifferenceFingerprint 97/272 Test #103: testReactionFingerprints ............... Passed 0.04 sec test 105 Start 105: rxnTestCatch 105: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/rxnTestCatch 105: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions 105: Test timeout computed to be: 7200 105: Randomness seeded to: 1742581458 105: [14:22:24] atom 0 in product 0 has multiple charge specifications. 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 34 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 36 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 38 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 40 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 42 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 87 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 89 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 91 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 93 105: [14:22:24] Found a SCD/SED line with missing/empty SDT specification at line 95 105: [14:22:24] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:22:24] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:22:24] SMARTS Parse Error: unclosed ring for input: 'CC1' 105: [14:22:24] SMILES Parse Error: unclosed ring for input: 'CC1' 105: [14:22:24] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:22:24] product atom-mapping number 2 not found in reactants. 105: [14:22:24] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:22:24] product atom-mapping number 2 not found in reactants. 105: [14:22:24] CX Extensions: Substance group hierarchy is not always preserved. 105: [14:22:24] CX Extensions: Substance group hierarchy is not always preserved. 104: 30000000 30000000 105: [14:22:25] reactant 0 has no mapped atoms. 105: [14:22:25] product 0 has no mapped atoms. 105: [14:22:25] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:22:25] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:22:25] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:22:25] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:22:25] Explicit valence for atom # 1 O, 5, is greater than permitted 105: =============================================================================== 105: All tests passed (722 assertions in 30 test cases) 105: 98/272 Test #105: rxnTestCatch ........................... Passed 0.08 sec test 106 Start 106: pyChemReactions 106: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 106: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/Wrap 106: Test timeout computed to be: 7200 102: [14:22:25] reactant 0 has no mapped atoms. 102: [14:22:25] product 0 has no mapped atoms. 102: [14:22:25] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product. 99/272 Test #102: testReaction ........................... Passed 0.35 sec test 107 Start 107: pyChemReactionEnumerations 107: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py" 107: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/Wrap 107: Test timeout computed to be: 7200 107: [14:22:25] == testCartesianProduct 107: .[14:22:25] == testEnumerateLibrary 107: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:265: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/enumeration.pickle'> 107: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read()) 107: ResourceWarning: Enable tracemalloc to get the object allocation traceback 107: ..[14:22:25] == testRGroupState 107: .[14:22:25] == testRandomEnumerateAllBBsLibrary 107: ** [1, 1] 107: ** [0, 2] 107: ** [1, 0] 107: .[14:22:25] == testRandomEnumerateLibrary 106: test_cxsmarts_reaction (__main__.CXExtensionsTests.test_cxsmarts_reaction) ... ok 106: test_cxsmiles_reaction (__main__.CXExtensionsTests.test_cxsmiles_reaction) ... ok 107: .[14:22:25] == testRandomSample 106: testCDXML (__main__.StereoGroupTests.testCDXML) ... ok 106: testGithub4651 (__main__.StereoGroupTests.testGithub4651) ... [14:22:25] 106: 106: **** 107: .[14:22:25] == testRandomSampleAllBBs 107: .[14:22:25] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 107: [14:22:25] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 107: .[14:22:25] == testRemoveBadMatches 107: .[14:22:25] == testTimings 106: Pre-condition Violation 106: RingInfo not initialized 106: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 106: Failed Expression: df_init 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 106: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 9# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 10# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 11# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector >&, std::map*, std::less, std::allocator*> > >&, RDKit::SubstructMatchParameters const&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 12# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 18# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector, std::allocator > > const&, RDKit::ChemicalReaction const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >, std::allocator, std::allocator > >, std::allocator, std::allocator > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 24# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 106: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 106: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 30# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 106: 31# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 32# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 33# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 106: 34# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 35# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 36# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 37# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 38# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 39# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 40# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 41# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 42# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 43# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 45# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 46# _PyObject_MakeTpCall in /usr/bin/python3 106: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 48# 0x00000000002AADF4 in /usr/bin/python3 106: 49# 0x00000000000AADF0 in /usr/bin/python3 106: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 51# 0x00000000002AADF4 in /usr/bin/python3 106: 52# 0x00000000000AC98C in /usr/bin/python3 106: 53# 0x000000000019A2B8 in /usr/bin/python3 106: 54# _PyObject_MakeTpCall in /usr/bin/python3 106: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 56# 0x00000000002AADF4 in /usr/bin/python3 106: 57# 0x00000000000AADF0 in /usr/bin/python3 106: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 59# 0x00000000002AADF4 in /usr/bin/python3 106: 60# 0x00000000000AC98C in /usr/bin/python3 106: 61# 0x000000000019A2B8 in /usr/bin/python3 106: 62# _PyObject_MakeTpCall in /usr/bin/python3 106: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 64# 0x00000000002AADF4 in /usr/bin/python3 106: 65# 0x00000000000AADF0 in /usr/bin/python3 106: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 67# 0x00000000002AADF4 in /usr/bin/python3 106: 68# 0x00000000000AC98C in /usr/bin/python3 106: 69# 0x000000000019A2B8 in /usr/bin/python3 106: 70# _PyObject_MakeTpCall in /usr/bin/python3 106: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 72# 0x00000000002AADF4 in /usr/bin/python3 106: 73# 0x00000000000ACA74 in /usr/bin/python3 106: 74# 0x0000000000193854 in /usr/bin/python3 106: 75# 0x0000000000189714 in /usr/bin/python3 106: 76# _PyObject_MakeTpCall in /usr/bin/python3 106: 77# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 78# PyEval_EvalCode in /usr/bin/python3 106: 79# 0x000000000033C338 in /usr/bin/python3 106: 80# 0x000000000033ECB8 in /usr/bin/python3 106: 81# 0x000000000033F214 in /usr/bin/python3 106: 82# 0x000000000037E5E8 in /usr/bin/python3 106: 83# Py_BytesMain in /usr/bin/python3 106: 84# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 85# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 86# _start in /usr/bin/python3 106: ---------- 106: **** 106: 106: [14:22:25] 106: 106: **** 106: Pre-condition Violation 106: RingInfo not initialized 106: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 106: Failed Expression: df_init 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 106: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 106: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 9# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 10# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 11# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector >&, std::map*, std::less, std::allocator*> > >&, RDKit::SubstructMatchParameters const&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 12# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 106: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 18# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector, std::allocator > > const&, RDKit::ChemicalReaction const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >, std::allocator, std::allocator > >, std::allocator, std::allocator > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemReactions.so.1 106: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 24# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 106: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 106: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 30# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 106: 31# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 32# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 33# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 106: 34# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 35# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 36# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 37# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 38# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 39# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 40# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 41# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 42# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 43# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 45# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 46# _PyObject_MakeTpCall in /usr/bin/python3 106: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 48# 0x00000000002AADF4 in /usr/bin/python3 106: 49# 0x00000000000AADF0 in /usr/bin/python3 106: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 51# 0x00000000002AADF4 in /usr/bin/python3 106: 52# 0x00000000000AC98C in /usr/bin/python3 106: 53# 0x000000000019A2B8 in /usr/bin/python3 106: 54# _PyObject_MakeTpCall in /usr/bin/python3 106: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 56# 0x00000000002AADF4 in /usr/bin/python3 106: 57# 0x00000000000AADF0 in /usr/bin/python3 106: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 59# 0x00000000002AADF4 in /usr/bin/python3 106: 60# 0x00000000000AC98C in /usr/bin/python3 106: 61# 0x000000000019A2B8 in /usr/bin/python3 106: 62# _PyObject_MakeTpCall in /usr/bin/python3 106: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 64# 0x00000000002AADF4 in /usr/bin/python3 106: 65# 0x00000000000AADF0 in /usr/bin/python3 106: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 67# 0x00000000002AADF4 in /usr/bin/python3 106: 68# 0x00000000000AC98C in /usr/bin/python3 106: 69# 0x000000000019A2B8 in /usr/bin/python3 106: 70# _PyObject_MakeTpCall in /usr/bin/python3 106: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 72# 0x00000000002AADF4 in /usr/bin/python3 106: 73# 0x00000000000ACA74 in /usr/bin/python3 106: 74# 0x0000000000193854 in /usr/bin/python3 106: 75# 0x0000000000189714 in /usr/bin/python3 106: 76# _PyObject_MakeTpCall in /usr/bin/python3 106: 77# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 78# PyEval_EvalCode in /usr/bin/python3 106: 79# 0x000000000033C338 in /usr/bin/python3 106: 80# 0x000000000033ECB8 in /usr/bin/python3 106: 81# 0x000000000033F214 in /usr/bin/python3 106: 82# 0x000000000037E5E8 in /usr/bin/python3 106: 83# Py_BytesMain in /usr/bin/python3 106: 84# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 85# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 86# _start in /usr/bin/python3 106: ---------- 106: **** 106: 106: ok 106: testGithub6138 (__main__.StereoGroupTests.testGithub6138) ... ok 106: testGithub6211 (__main__.StereoGroupTests.testGithub6211) ... ok 106: testMrvBlockContainsReaction (__main__.StereoGroupTests.testMrvBlockContainsReaction) ... ok 106: testMrvOutput (__main__.StereoGroupTests.testMrvOutput) ... /usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmpuytaif0z.mrv'>> 106: _warnings.warn(self.warn_message, ResourceWarning) 106: ok 106: testPickleCompatibility (__main__.StereoGroupTests.testPickleCompatibility) ... ok 106: testReactionInPlace (__main__.StereoGroupTests.testReactionInPlace) ... ok 106: testSanitizeRxnAsMols (__main__.StereoGroupTests.testSanitizeRxnAsMols) ... ok 106: testSmilesWriteParams (__main__.StereoGroupTests.testSmilesWriteParams) ... ok 106: testV3000Reactions (__main__.StereoGroupTests.testV3000Reactions) ... ok 106: test_github (__main__.StereoGroupTests.test_github) ... [14:22:25] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:22:25] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:22:25] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:22:25] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: ok 106: test_reaction_copies_stereogroup (__main__.StereoGroupTests.test_reaction_copies_stereogroup) 106: If multiple copies of an atom in StereoGroup show up in the product, they ... [14:22:25] product atom-mapping number 1 found multiple times. 106: [14:22:25] product atom-mapping number 1 found multiple times. 106: ok 106: test_reaction_defines_stereo (__main__.StereoGroupTests.test_reaction_defines_stereo) 106: StereoGroup atoms are in the reaction, and the reaction creates the specified ... ok 106: test_reaction_destroys_stereo (__main__.StereoGroupTests.test_reaction_destroys_stereo) 106: StereoGroup atoms are in the reaction, and the reaction destroys the specified ... ok 106: test_reaction_ignores_stereo (__main__.StereoGroupTests.test_reaction_ignores_stereo) 106: StereoGroup atoms are in the reaction, but the reaction doesn't specify the ... ok 106: test_reaction_inverts_stereo (__main__.StereoGroupTests.test_reaction_inverts_stereo) 106: StereoGroup atoms are in the reaction, and the reaction inverts the specified ... ok 106: test_reaction_preserves_stereo (__main__.StereoGroupTests.test_reaction_preserves_stereo) 106: StereoGroup atoms are in the reaction, but the reaction doesn't affect ... ok 106: test_reaction_splits_stereogroup (__main__.StereoGroupTests.test_reaction_splits_stereogroup) 106: StereoGroup atoms are split into two products by the reaction ... ok 106: test_rxnblock_removehs (__main__.StereoGroupTests.test_rxnblock_removehs) ... ok 106: test_stereogroup_is_spectator_to_reaction (__main__.StereoGroupTests.test_stereogroup_is_spectator_to_reaction) 106: StereoGroup atoms are not in the reaction ... ok 106: test10DotSeparation (__main__.TestCase.test10DotSeparation) ... ok 106: test11ImplicitProperties (__main__.TestCase.test11ImplicitProperties) ... ok 106: test12Pickles (__main__.TestCase.test12Pickles) ... ok 106: test13GetTemplates (__main__.TestCase.test13GetTemplates) ... ok 106: test14Matchers (__main__.TestCase.test14Matchers) ... ok 106: test15Replacements (__main__.TestCase.test15Replacements) ... ok 106: test16GetReactingAtoms (__main__.TestCase.test16GetReactingAtoms) ... ok 106: test17AddRecursiveQueriesToReaction (__main__.TestCase.test17AddRecursiveQueriesToReaction) ... [14:22:25] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: [14:22:25] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: ok 106: test17bAddRecursiveQueriesToReaction (__main__.TestCase.test17bAddRecursiveQueriesToReaction) ... [14:22:25] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: ok 106: test18GithubIssue16 (__main__.TestCase.test18GithubIssue16) ... ok 106: test19RemoveUnmappedMoleculesToAgents (__main__.TestCase.test19RemoveUnmappedMoleculesToAgents) ... [14:22:25] reactant 2 has no mapped atoms. 106: [14:22:25] reactant 2 has no mapped atoms. 106: [14:22:25] product 1 has no mapped atoms. 106: ok 106: test1Basics (__main__.TestCase.test1Basics) ... ok 106: test20CheckCopyConstructedReactionAtomProps (__main__.TestCase.test20CheckCopyConstructedReactionAtomProps) ... ok 106: test21CheckRawIters (__main__.TestCase.test21CheckRawIters) ... ok 106: test22RunSingleReactant (__main__.TestCase.test22RunSingleReactant) ... ok 106: test23CheckNonProduct (__main__.TestCase.test23CheckNonProduct) ... ok 106: test2DaylightParser (__main__.TestCase.test2DaylightParser) ... ok 106: test3MDLParsers (__main__.TestCase.test3MDLParsers) ... ok 106: test4ErrorHandling (__main__.TestCase.test4ErrorHandling) ... [14:22:25] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 14: 106: [14:22:25] [C:1](=[O:2])Q 106: [14:22:25] ~~~~~~~~~~~~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q' 106: [14:22:25] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 19: 106: [14:22:25] [C:1](=[O:2])[N:3]Q 106: [14:22:25] ~~~~~~~~~~~~~~~~~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q' 106: ok 106: test5Validation (__main__.TestCase.test5Validation) ... [14:22:25] reactant atom-mapping number 1 found multiple times. 106: [14:22:25] product atom-mapping number 2 not found in reactants. 106: [14:22:25] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 4 106: [14:22:25] product atom-mapping number 5 not found in reactants. 106: ok 106: test6Exceptions (__main__.TestCase.test6Exceptions) ... ok 106: test8Properties (__main__.TestCase.test8Properties) ... ok 106: test9AromaticityTransfer (__main__.TestCase.test9AromaticityTransfer) ... ok 106: testGitHub1868 (__main__.TestCase.testGitHub1868) ... ok 106: testMaxProducts (__main__.TestCase.testMaxProducts) ... ok 106: testPreprocess (__main__.TestCase.testPreprocess) ... ok 106: testProperties (__main__.TestCase.testProperties) ... ok 106: testReactionFromSmiles (__main__.TestCase.testReactionFromSmiles) ... ok 106: testRoundTripException (__main__.TestCase.testRoundTripException) ... ok 106: test_PNGMetadata (__main__.TestCase.test_PNGMetadata) ... /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:753: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'> 106: png = open(fname, 'rb').read() 106: ResourceWarning: Enable tracemalloc to get the object allocation traceback 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 34 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 36 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 38 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 40 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 42 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 87 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 89 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 91 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 93 106: [14:22:25] Found a SCD/SED line with missing/empty SDT specification at line 95 106: ok 106: EnumerateReaction (rdkit.Chem.SimpleEnum.Enumerator) 106: Doctest: rdkit.Chem.SimpleEnum.Enumerator.EnumerateReaction ... ok 106: PreprocessReaction (rdkit.Chem.SimpleEnum.Enumerator) 106: Doctest: rdkit.Chem.SimpleEnum.Enumerator.PreprocessReaction ... [14:22:25] SMARTS Parse Error: syntax error while parsing: boromicacid 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] boromicacid 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 106: [14:22:25] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] carboxylicacid,acidchlroide 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 106: [14:22:25] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] carboxyliccaid,acidchloride 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 106: [14:22:25] reaction has no reactants 106: [14:22:25] reaction has no products 106: [14:22:25] initialization failed 106: [14:22:25] reaction has no reactants 106: [14:22:25] reaction has no products 106: ok 106: PreprocessReaction (TestPreprocess) 106: Doctest: TestPreprocess.PreprocessReaction ... [14:22:25] SMARTS Parse Error: syntax error while parsing: boromicacid 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] boromicacid 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 106: [14:22:25] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] carboxylicacid,acidchlroide 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 106: [14:22:25] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 106: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 106: [14:22:25] carboxyliccaid,acidchloride 106: [14:22:25] ~~^ 106: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 106: [14:22:25] reaction has no reactants 106: [14:22:25] reaction has no products 106: [14:22:25] initialization failed 106: [14:22:25] reaction has no reactants 106: [14:22:25] reaction has no products 106: ok 106: 106: ---------------------------------------------------------------------- 106: Ran 56 tests in 0.160s 106: 106: OK 106: ******************************************** 106: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/AmideBond.rxn 106: 100/272 Test #106: pyChemReactions ........................ Passed 0.63 sec test 108 Start 108: pyChemReactionSanitize 108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testSanitize.py" 108: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemReactions/Wrap 108: Test timeout computed to be: 7200 108: .[14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: .[14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] reactant 0 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] product 0 has no mapped atoms. 108: [14:22:25] Could not find RLabel mapping for atom: 0 in template: 1 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: [14:22:25] reactant 1 has no mapped atoms. 108: .. 108: ---------------------------------------------------------------------- 108: Ran 4 tests in 0.018s 108: 108: OK 108: () 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 * 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 * 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 * 108: V 2 * 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 1 108: V 1 halogen.bromine.aromatic 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 2 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 2 1 1 2 2 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 1 108: V 1 halogen.bromine.aromatic 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 3 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 2 1 1 2 2 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 3 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 2 108: M RGP 1 1 1 108: V 1 [*:1] 108: M END 108: 108: $RXN Failed 101/272 Test #108: pyChemReactionSanitize ................. Passed 0.22 sec test 109 Start 109: testChemTransforms 109: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/testChemTransforms 109: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms 109: Test timeout computed to be: 7200 109: 1 smi: CC 109: 1 smi: CC 109: 2 smi: CCO[C@H](N)P 109: 2 smi: CC 109: replaceSub smi1:CCP(CC)[C@@H](N)O 109: replaceSub smi1:CCNCC 109: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O 109: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O 109: [14:22:25] SMARTS Parse Error: syntax error while parsing: bar 109: [14:22:25] SMARTS Parse Error: check for mistakes around position 3: 109: [14:22:25] bar 109: [14:22:25] ~~^ 109: [14:22:25] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar' 102/272 Test #109: testChemTransforms ..................... Passed 0.07 sec test 110 Start 110: chemTransformsTestCatch 110: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms 110: Test timeout computed to be: 7200 110: Randomness seeded to: 1831335586 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] Incomplete atom labelling, cannot make bond 110: [14:22:25] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] Incomplete atom labelling, cannot make bond 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:22:26] 110: 110: **** 110: Invariant Violation 110: molzip: zipped Bond already exists, perhaps labels are duplicated 110: Violation occurred on line 145 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx()) 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 110: 2# 0x000000000005A77C in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 5# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 110: 6# 0x000000000001FA20 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 12# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 13# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 14# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 15# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: =============================================================================== 110: All tests passed (687 assertions in 15 test cases) 110: 103/272 Test #110: chemTransformsTestCatch ................ Passed 0.08 sec test 111 Start 111: tautomerQueryTestCatch 111: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch 111: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery 111: Test timeout computed to be: 7200 111: Randomness seeded to: 3053278746 111: =============================================================================== 111: All tests passed (112 assertions in 14 test cases) 111: 104/272 Test #111: tautomerQueryTestCatch ................. Passed 0.16 sec test 112 Start 112: pyTautomerQuery 112: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/Wrap/rough_test.py" 112: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/TautomerQuery/Wrap 112: Test timeout computed to be: 7200 107: . 107: ---------------------------------------------------------------------- 107: Ran 11 tests in 0.885s 107: 107: OK 107: True 107: == CartesianProductStrategy CartesianProductStrategy 107: 197 out of 300 107: 0 6 out of 10 107: 1 3 out of 5 107: 2 4 out of 6 107: 198 out of 300 107: 0 10 out of 10 107: 1 5 out of 5 107: 2 6 out of 6 107: Skipped 10000000 in 0.05467581748962402 seconds 107: Skipped 10000000 in 0.47519803047180176 seconds 107: Skipped 10000000 in 0.09138822555541992 seconds 105/272 Test #107: pyChemReactionEnumerations ............. Passed 1.24 sec test 113 Start 113: testSubgraphs1 113: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs/testSubgraphs1 113: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs 113: Test timeout computed to be: 7200 112: ..... 112: ---------------------------------------------------------------------- 112: Ran 5 tests in 0.035s 112: 112: OK 106/272 Test #112: pyTautomerQuery ........................ Passed 0.24 sec test 114 Start 114: testSubgraphs2 114: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs/testSubgraphs2 114: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs 114: Test timeout computed to be: 7200 114: Randomness seeded to: 1133005602 114: =============================================================================== 114: All tests passed (112 assertions in 5 test cases) 114: 107/272 Test #114: testSubgraphs2 ......................... Passed 0.02 sec test 115 Start 115: subgraphsCatch 115: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs/subgraphsCatch 115: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Subgraphs 115: Test timeout computed to be: 7200 115: Randomness seeded to: 3314979089 115: --------- 115: =============================================================================== 115: All tests passed (30 assertions in 2 test cases) 115: 108/272 Test #115: subgraphsCatch ......................... Passed 0.02 sec test 116 Start 116: filterCatalogTest 116: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FilterCatalog/filterCatalogTest 116: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FilterCatalog 116: Test timeout computed to be: 7200 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason hzone_phenol_A(479) 116: v = { 116: 0,23}, 116: 1,22}, 116: 2,20}, 116: 3,19}, 116: 4,25}, 116: 5,24}, 116: 6,18}, 116: 7,17}, 116: 8,16}, 116: 9,21}, 116: } 116: match = { 116: 0,23}, 116: 1,22}, 116: 2,20}, 116: 3,19}, 116: 4,25}, 116: 5,24}, 116: 6,18}, 116: 7,17}, 116: 8,16}, 116: 9,21}, 116: } 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason cyano_imine_B(17) 116: v = { 116: 0,11}, 116: 1,12}, 116: 2,13}, 116: 3,14}, 116: 4,15}, 116: 5,10}, 116: 6,9}, 116: 7,8}, 116: 8,7}, 116: 9,6}, 116: 10,5}, 116: 11,17}, 116: 12,16}, 116: } 116: match = { 116: 0,11}, 116: 1,12}, 116: 2,13}, 116: 3,14}, 116: 4,15}, 116: 5,10}, 116: 6,9}, 116: 7,8}, 116: 8,7}, 116: 9,6}, 116: 10,5}, 116: 11,17}, 116: 12,16}, 116: } 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason keto_keto_gamma(5) 116: v = { 116: 0,0}, 116: 1,1}, 116: 2,2}, 116: 3,4}, 116: 4,5}, 116: 5,6}, 116: 6,7}, 116: 7,8}, 116: 8,9}, 116: 9,14}, 116: 10,15}, 116: 11,16}, 116: } 116: match = { 116: 0,0}, 116: 1,1}, 116: 2,2}, 116: 3,4}, 116: 4,5}, 116: 5,6}, 116: 6,7}, 116: 7,8}, 116: 8,9}, 116: 9,14}, 116: 10,15}, 116: 11,16}, 116: } 109/272 Test #116: filterCatalogTest ...................... Passed 0.19 sec test 117 Start 117: pyFilterCatalog 117: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/Wrap/rough_test.py" 117: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FilterCatalog/Wrap 117: Test timeout computed to be: 7200 97: Read of 500x20 molecules took 4575 ms 87: [14:22:27] Seen a second ABS stereo group on line 26 87: 87: [14:22:27] Atom 4 appears more than once in stereo group specification on line 27! 87: [14:22:27] : Warning - no explicit hydrogens in mol2 file but needed for formal charge estimation. 87: [14:22:27] : Warning - no explicit hydrogens in mol2 file but needed for formal charge estimation. 87: =============================================================================== 87: All tests passed (1705 assertions in 109 test cases) 87: 110/272 Test #87: fileParsersCatchTest ................... Passed 9.34 sec test 118 Start 118: testFragCatalog 118: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog 118: Test timeout computed to be: 7200 118: 21 117: .............[14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: [14:22:27] SMILES Parse Error: syntax error while parsing: --- 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] --- 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:22:27] dasfsadf 117: .[14:22:27] SMILES Parse Error: syntax error while parsing: mydoghasfleas 117: [14:22:27] SMILES Parse Error: check for mistakes around position 1: 117: [14:22:27] mydoghasfleas 117: [14:22:27] ^ 117: [14:22:27] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas' 117: ....... 117: ---------------------------------------------------------------------- 117: Ran 21 tests in 0.681s 117: 117: OK 117: (Five aromatic carbons And (Not any of Five aromatic carbons)) 117: (Five aromatic carbons Or (Not any of Five aromatic carbons)) 117: (Not (Five aromatic carbons And (Not any of Five aromatic carbons))) 117: ******************************************** 117: Testing: PAINS_A 2 117: ******************************************** 117: Testing: PAINS_B 4 117: ******************************************** 117: Testing: PAINS_C 8 117: ******************************************** 117: Testing: PAINS 14 117: (Not FilterMatcher) 117: Bar 117: Count 1 117: ******************************************** 117: {'Cl,Br,I'} 117: 1 117: 2 117: running 111/272 Test #117: pyFilterCatalog ........................ Passed 1.00 sec test 119 Start 119: pyFragCatalog 119: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 119: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/Wrap 119: Test timeout computed to be: 7200 119: ......... 119: ---------------------------------------------------------------------- 119: Ran 9 tests in 0.050s 119: 119: OK 112/272 Test #119: pyFragCatalog .......................... Passed 0.26 sec test 120 Start 120: testDescriptors 120: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testDescriptors 120: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 120: Test timeout computed to be: 7200 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Crippen parameter acquisition. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Crippen calculation. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Issue262: problems with Crippen calculation from pickles. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test AMW calculation. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Exact MW calculation. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Labute ASA descriptors. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test TPSA descriptors. 120: [14:22:27] done 120: [14:22:27] ------------------------------------- 120: [14:22:27] Test Lipinski parameters. 120: [14:22:28] done 120: [14:22:28] ------------------------------------- 120: [14:22:28] Test VSA descriptors. 120: [14:22:28] done 120: [14:22:28] ------------------------------------- 120: [14:22:28] Test molecular formula calculation. 120: [14:22:28] done 120: [14:22:28] ------------------------------------- 120: [14:22:28] Test Issue 3415534. 120: [14:22:28] done 120: [14:22:28] ------------------------------------- 120: [14:22:28] Test Issue3433771: Bad definition for Crippen atom type O11. 120: [14:22:28] done 120: [14:22:28] ------------------------------------- 120: [14:22:28] Test multithreading 120: reading molecules 118: [14:22:28] 118: 118: **** 120: processing 120: launch :0 120: launch :1 120: launch :2 120: launch :3 118: Invariant Violation 118: nonsense 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 118: [14:22:28] 118: 118: **** 118: Invariant Violation 118: nonsense no new line 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 118: [14:22:28] 118: 118: **** 118: Invariant Violation 118: nonsense with tab 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 113/272 Test #118: testFragCatalog ........................ Passed 0.73 sec test 121 Start 121: testAUTOCORR2D 121: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testAUTOCORR2D 121: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 121: Test timeout computed to be: 7200 121: [14:22:28] ---------------------------- 121: start test autocorr2D 121: [14:22:28] done 121: [14:22:28] ------------------------------------- 121: [14:22:28] Test Github #3806: NaNs from AUTOCORR2D descriptor 121: [14:22:28] done 114/272 Test #121: testAUTOCORR2D ......................... Passed 0.30 sec test 122 Start 122: testATF 122: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testATF 122: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 122: Test timeout computed to be: 7200 115/272 Test #122: testATF ................................ Passed 0.02 sec test 123 Start 123: testBCUT 123: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testBCUT 123: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 123: Test timeout computed to be: 7200 123: [14:22:28] ------------------------------------- 123: [14:22:28] Basic BCUT tests. 123: [14:22:28] done 123: [14:22:28] ------------------------------------- 123: [14:22:28] Larger BCUT tests. 123: [14:22:28] ------------------------------------- 123: [14:22:28] Test empty molecule BCUT. 116/272 Test #123: testBCUT ............................... Passed 0.43 sec test 124 Start 124: testEEM 124: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testEEM 124: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 124: Test timeout computed to be: 7200 81: [14:22:28] Finished: testSmiCorrectness() 81: [14:22:28] ----------------------------------------- 81: 81: [14:22:28] 81: ----------------------------------------- 81: [14:22:28] Spurious data before the first property will be ignored 81: [14:22:28] Property will be truncated after the first blank line 81: [14:22:28] Property will be truncated after the first blank line 81: [14:22:28] Property will be truncated after the first blank line 124: =>start test EEM 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 0 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 100 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 200 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 300 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 81: [14:22:29] Finished: testSDCorrectness() 81: [14:22:29] ----------------------------------------- 81: 81: [14:22:29] 81: ----------------------------------------- 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 81: [14:22:29] Finished: testThrowSDF() 81: [14:22:29] ----------------------------------------- 81: 81: [14:22:29] 81: ----------------------------------------- 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 81: [14:22:29] Finished: testThrowSmiles() 81: [14:22:29] ----------------------------------------- 81: 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 117/272 Test #81: testMultithreadedMolSupplier ........... Passed 11.65 sec test 125 Start 125: testPBF 125: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testPBF 125: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 125: Test timeout computed to be: 7200 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 125: [14:22:29] ------------------------------------- 125: [14:22:29] Basic PBF tests. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 400 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 125: [14:22:29] done 125: [14:22:29] ------------------------------------- 125: [14:22:29] PBF edge cases. 125: [14:22:29] done 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 118/272 Test #125: testPBF ................................ Passed 0.18 sec test 126 Start 126: testRDFcustom 126: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testRDFcustom 126: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 126: Test timeout computed to be: 7200 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:22:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: Elapsed time: 0.523324 s 124: Errors:0 124: [14:22:29] test on : 500 molecules done 119/272 Test #124: testEEM ................................ Passed 0.54 sec test 127 Start 127: testRDF 127: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testRDF 127: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 127: Test timeout computed to be: 7200 97: Read of 500x20 molecules took 2960 ms 126: =>start test rdf custom 126: [14:22:30] test on : 365 molecules done 127: =>start test rdf 127: [14:22:30] test on : 365 molecules done 120/272 Test #127: testRDF ................................ Passed 0.81 sec test 128 Start 128: testMORSE 128: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testMORSE 128: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 128: Test timeout computed to be: 7200 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Issue252: Bad definitions for Crippen atom types. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of ChiVs. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of ChiNs. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of HallKierAlpha. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of Kappa1. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of Kappa2. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of Kappa3. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Crippen atom type calculations. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test ring descriptors 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test other count descriptors. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test MQN 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test GitHub Issue 56. 120: [14:22:30] WARNING: not removing hydrogen atom without neighbors 120: [14:22:30] WARNING: not removing hydrogen atom without neighbors 120: [14:22:30] WARNING: not removing hydrogen atom without neighbors 120: [14:22:30] WARNING: not removing hydrogen atom without neighbors 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github92: Bad Crippen atom type for pyrrole H. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github362: order dependence in Kier-Hall descriptors. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test calculation of spiro and bridgehead counts. 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github694: ExactMolWt ignoring the mass of the electron 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Testing Properties and KitchenSink 120: [14:22:30] ---Caught keyerror (bad property name)--- 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test USR Descriptor 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github #1973: support P and S terms for TPSA calculation 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github #2948: Empty molecule has non-zero LabuteASA 120: [14:22:30] done 120: [14:22:30] ------------------------------------- 120: [14:22:30] Test Github #8997: incorrect numHBA in N-heterocycles 120: [14:22:30] done 121/272 Test #120: testDescriptors ........................ Passed 2.51 sec test 129 Start 129: test3D 129: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/test3D 129: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 129: Test timeout computed to be: 7200 129: [14:22:30] ------------------------------------- 129: [14:22:30] Basic PMI tests. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] More PMI/NPR tests. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] Basic NPR tests. 126: =>start test morse custom 126: [14:22:30] test on : 365 molecules done 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] PMI edge cases. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] NPR edge cases. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] 3D descriptors. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] 3D descriptor edge cases. 129: [14:22:30] done 129: [14:22:30] ------------------------------------- 129: [14:22:30] Inertial shape factor. 129: [14:22:30] done 122/272 Test #129: test3D ................................. Passed 0.39 sec test 130 Start 130: testWHIM 130: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testWHIM 130: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 130: Test timeout computed to be: 7200 128: =>start test MORSE 128: =>read file 128: [14:22:30] test on : 365 molecules done 123/272 Test #128: testMORSE .............................. Passed 0.68 sec test 131 Start 131: testGETAWAY 131: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testGETAWAY 131: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 131: Test timeout computed to be: 7200 130: =>start test WHIM 130: [14:22:31] test on : 365 molecules done 124/272 Test #130: testWHIM ............................... Passed 0.27 sec test 132 Start 132: testAUTOCORR3D 132: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testAUTOCORR3D 132: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 132: Test timeout computed to be: 7200 126: =>start test AUTOCORR3D custom 126: [14:22:31] test on : 365 molecules done 126: =>start test 2 WHIM custom 126: [14:22:31] test on : 365 molecules done 132: =>start test autocorr3D 132: [14:22:31] test on : 365 molecules done 125/272 Test #132: testAUTOCORR3D ......................... Passed 0.31 sec test 133 Start 133: testCoulombMat 133: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/testCoulombMat 133: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 133: Test timeout computed to be: 7200 133: ===================== Testing CoulombMat ======================= 133: CM test 1 mat Done 126/272 Test #133: testCoulombMat ......................... Passed 0.03 sec test 134 Start 134: descriptorsTestCatch 134: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/descriptorsTestCatch 134: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors 134: Test timeout computed to be: 7200 126: =>start test 1 WHIM custom 126: [14:22:31] test on : 365 molecules done 134: Randomness seeded to: 3262710502 134: =============================================================================== 134: All tests passed (826 assertions in 11 test cases) 134: 127/272 Test #134: descriptorsTestCatch ................... Passed 0.71 sec test 135 Start 135: pyMolDescriptors 135: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 135: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/Wrap 135: Test timeout computed to be: 7200 131: =>start test GETAWAY 131: [14:22:32] test on : 365 molecules done 128/272 Test #131: testGETAWAY ............................ Passed 1.24 sec test 136 Start 136: pyMolDescriptors3D 136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Wrap/test3D.py" 136: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Descriptors/Wrap 136: Test timeout computed to be: 7200 136: ........ 136: ---------------------------------------------------------------------- 136: Ran 8 tests in 0.083s 136: 136: OK 129/272 Test #136: pyMolDescriptors3D ..................... Passed 0.29 sec test 137 Start 137: testFingerprints 137: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/testFingerprints 137: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints 137: Test timeout computed to be: 7200 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->1 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: SMI: Oc1cc2[nH]cnc2c(O)n1 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->1 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1(O)cc2[nH]cnc2c(O)n1 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 0->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1c(O)nc(O)c2c1[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: 1 conj?: 1 137: 2 1->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: 1 conj?: 1 137: 5 4->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->6 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c12cc(O)nc(O)c1nc[nH]2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: 1 conj?: 1 137: 3 2->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->0 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: [nH]1c2cc(O)nc(O)c2nc1 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: 1 conj?: 1 137: 4 3->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: 1 conj?: 1 137: 7 6->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 8->1 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1[nH]c2cc(O)nc(O)c2n1 137: Atoms: 137: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: 1 conj?: 1 137: 5 4->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: 1 conj?: 1 137: 8 7->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 9->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: n1c[nH]c2cc(O)nc(O)c21 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 10->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c12c(cc(O)nc1O)[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: 1 conj?: 1 137: 4 3->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: 1 conj?: 1 137: 7 1->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 6->0 order: a conj?: 1 aromatic?: 1 137: 11 10->0 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 0->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 3->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: Oc1c2c(cc(O)n1)[nH]cn2 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 3->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->1 order: a conj?: 1 aromatic?: 1 137: 11 10->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: n1c(O)cc2[nH]cnc2c1O 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: 1 conj?: 1 137: 2 1->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: 1 conj?: 1 137: 10 9->0 order: a conj?: 1 aromatic?: 1 137: 11 8->4 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Morgan Fingerprints. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Morgan Fingerprints using fromAtoms argument. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Morgan Fingerprints as bit vects. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Morgan Fingerprints with feature invariants. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test additional Morgan fingerprints options. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Atom Codes. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Atom Pairs. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Atom Pairs part 2. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Topological Torsions. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Bulk Topological Torsions. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ..[14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: .[14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ..[14:22:32] 135: 135: **** 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: Pre-condition Violation 135: Number of atom props not equal to number of atoms 135: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp 135: Failed Expression: atom_props.size() == num_atoms 135: ---------- 135: Stacktrace: 135: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 135: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 135: 2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitDescriptors.so.1 135: 3# 0x000000000005D550 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so 135: 4# 0x000000000008A504 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so 135: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 135: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 135: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 135: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 135: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 135: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 135: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 135: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 135: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 28# _PyObject_MakeTpCall in /usr/bin/python3 135: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 30# 0x00000000002AADF4 in /usr/bin/python3 135: 31# 0x00000000000AADF0 in /usr/bin/python3 135: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 33# 0x00000000002AADF4 in /usr/bin/python3 135: 34# 0x00000000000AC98C in /usr/bin/python3 135: 35# 0x000000000019A2B8 in /usr/bin/python3 135: 36# _PyObject_MakeTpCall in /usr/bin/python3 135: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 38# 0x00000000002AADF4 in /usr/bin/python3 135: 39# 0x00000000000AADF0 in /usr/bin/python3 135: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 41# 0x00000000002AADF4 in /usr/bin/python3 135: 42# 0x00000000000AC98C in /usr/bin/python3 135: 43# 0x000000000019A2B8 in /usr/bin/python3 135: 44# _PyObject_MakeTpCall in /usr/bin/python3 135: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 46# 0x00000000002AADF4 in /usr/bin/python3 135: 47# 0x00000000000AADF0 in /usr/bin/python3 135: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 49# 0x00000000002AADF4 in /usr/bin/python3 135: 50# 0x00000000000AC98C in /usr/bin/python3 135: 51# 0x000000000019A2B8 in /usr/bin/python3 135: 52# _PyObject_MakeTpCall in /usr/bin/python3 135: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 54# 0x00000000002AADF4 in /usr/bin/python3 135: 55# 0x00000000000AC98C in /usr/bin/python3 135: 56# 0x0000000000193854 in /usr/bin/python3 135: 57# 0x0000000000189714 in /usr/bin/python3 135: 58# _PyObject_MakeTpCall in /usr/bin/python3 135: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 60# PyEval_EvalCode in /usr/bin/python3 135: 61# 0x000000000033C338 in /usr/bin/python3 135: 62# 0x000000000033ECB8 in /usr/bin/python3 135: 63# 0x000000000033F214 in /usr/bin/python3 135: 64# 0x000000000037E5E8 in /usr/bin/python3 135: 65# Py_BytesMain in /usr/bin/python3 135: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 135: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 135: 68# _start in /usr/bin/python3 135: ---------- 135: **** 135: 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: .[14:22:32] DEPRECATION WARNING: please use MorganGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:32] DEPRECATION WARNING: please use MorganGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Hashed Atom Pairs. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Hashed torsions. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Rooted Atom Pairs. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test ignoring atoms in Atom Pairs. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Rooted Topological Torsions. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test ignoring atoms in Topological Torsions. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test atom info from morgan fingerprints. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test atom info from morgan fingerprints including Info Redundant Environments. 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] ------------------------------------- 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] ------------------------------------- 137: [14:22:32] ------------------------------------- 137: [14:22:32] ------------------------------------- 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Atom Pairs including info about chirality. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test Topological Torsions including info about chirality. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test GitHub Issue 25: fingerprint backwards compatibility. 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test GitHub Issue 151: PatternFingerprint problems 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test 3D atom pairs. 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 137: [14:22:32] done 137: [14:22:32] ------------------------------------- 137: [14:22:32] Test multithreading with the pattern FP 137: reading molecules 137: pass 1 137: launch :0 137: launch :1 137: launch :2 137: launch :3 126: =>start test GETAWAY custom 126: [14:22:32] test on : 365 molecules done 130/272 Test #126: testRDFcustom .......................... Passed 3.25 sec test 138 Start 138: testMHFPFingerprint 138: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/testMHFPFingerprint 138: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints 138: Test timeout computed to be: 7200 138: [14:22:32] ------------------------------------- 138: [14:22:32] Test MHFP fingerprint encoder initialization 138: [14:22:32] done 138: [14:22:32] ------------------------------------- 138: [14:22:32] Test MHFP shingling creation 138: [14:22:32] done 138: [14:22:32] ------------------------------------- 138: [14:22:32] Test MHFP hashing of string and uint arrays 138: [14:22:32] done 138: [14:22:32] ------------------------------------- 138: [14:22:32] Test SECFP fingerprint functionality 138: [14:22:32] done 131/272 Test #138: testMHFPFingerprint .................... Passed 0.07 sec test 139 Start 139: testFingerprintGenerators 139: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/testFingerprintGenerators 139: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints 139: Test timeout computed to be: 7200 137: pass 2 137: launch :0 137: launch :1 137: launch :2 137: launch :3 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test atom-pair fp generator 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test atom-pair fp generator with different arguments 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test atom-pair additional output 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Folded Atom Pairs. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Rooted Atom Pairs. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test ignoring atoms in Atom Pairs. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Atom Pairs including info about chirality. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Morgan Fingerprints. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test morgan fp generator 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Morgan Fingerprints using fromAtoms argument. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Morgan Fingerprints as bit vects. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test Morgan Fingerprints with feature invariants. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test additional Morgan fingerprints options. 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Single atoms setting radius 1 bits in Morgan fingerprints 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test different invariant generator combinations 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test invariant overriding 139: [14:22:32] done 139: [14:22:32] ------------------------------------- 139: [14:22:32] Test RDKit fp generator 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test unfolded version of RDKFP 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test topological torsion fp generator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test Topological Torsions. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test Folded torsions. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test Bulk Topological Torsions. 135: ....[14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: .[14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: ..[14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: .[14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ...[14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: [14:22:33] DEPRECATION WARNING: please use MorganGenerator 135: ....[14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: .....[14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 135: .[14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ..[14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: .[14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:22:33] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ... 135: ---------------------------------------------------------------------- 135: Ran 33 tests in 0.541s 135: 135: OK 135: exactmw 78.046950192 135: amw 78.11399999999999 135: lipinskiHBA 0.0 135: lipinskiHBD 0.0 135: NumRotatableBonds 0.0 135: NumHBD 0.0 135: NumHBA 0.0 135: NumHeavyAtoms 6.0 135: NumAtoms 12.0 135: NumHeteroatoms 0.0 135: NumAmideBonds 0.0 135: FractionCSP3 0.0 135: NumRings 1.0 135: NumAromaticRings 1.0 135: NumAliphaticRings 0.0 135: NumSaturatedRings 0.0 135: NumHeterocycles 0.0 135: NumAromaticHeterocycles 0.0 135: NumSaturatedHeterocycles 0.0 135: NumAliphaticHeterocycles 0.0 135: NumSpiroAtoms 0.0 135: NumBridgeheadAtoms 0.0 135: NumAtomStereoCenters 0.0 135: NumUnspecifiedAtomStereoCenters 0.0 135: labuteASA 37.43140311949697 135: tpsa 0.0 135: CrippenClogP 1.6866 135: CrippenMR 26.441999999999993 135: chi0v 3.464101615137755 135: chi1v 2.0000000000000004 135: chi2v 1.1547005383792521 135: chi3v 0.6666666666666671 135: chi4v 0.38490017945975075 135: chi0n 3.464101615137755 135: chi1n 2.0000000000000004 135: chi2n 1.1547005383792521 135: chi3n 0.6666666666666671 135: chi4n 0.38490017945975075 135: hallKierAlpha -0.78 135: kappa1 3.4115708812260532 135: kappa2 1.6057694396735218 135: kappa3 0.5823992601400448 135: Phi 0.9130327103921437 135: CustomNumAtoms 6.0 135: exactmw 78.046950192 135: lipinskiHBA 0.0 104: 0,0 0 104: 0,1 0 104: 1,0 0 104: 1,1 0 104: 2,0 0 104: 2,1 0 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test Rooted Topological Torsions. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test ignoring atoms in Topological Torsions. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test Topological Torsions including info about chirality. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test GitHub Issue 25: fingerprint backwards compatibility. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test convenience and bulk fp calculation functions 132/272 Test #104: testEnumeration ........................ Passed 8.21 sec test 140 Start 140: fpTestCatch 140: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/fpTestCatch 140: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints 140: Test timeout computed to be: 7200 140: Randomness seeded to: 476236846 140: =============================================================================== 140: All tests passed (245 assertions in 17 test cases) 140: 133/272 Test #140: fpTestCatch ............................ Passed 0.04 sec test 141 Start 141: fpGenTestCatch 141: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/fpGenTestCatch 141: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints 141: Test timeout computed to be: 7200 134/272 Test #135: pyMolDescriptors ....................... Passed 1.03 sec test 142 Start 142: pyTestGenerator 142: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Wrap/testGenerators.py" 142: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/Wrap 142: Test timeout computed to be: 7200 141: Randomness seeded to: 3983687720 141: =============================================================================== 141: All tests passed (2770 assertions in 9 test cases) 141: 135/272 Test #141: fpGenTestCatch ......................... Passed 0.07 sec test 143 Start 143: pyTestMHFP 143: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Wrap/testMHFP.py" 143: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Fingerprints/Wrap 143: Test timeout computed to be: 7200 97: Read of 500x20 molecules took 3086 ms 139: [14:22:33] done 139: [14:22:33] ------------------------------------- 139: [14:22:33] Test GitHub Issue #6958 139: [14:22:33] DEPRECATION WARNING: please use AtomPairGenerator 136/272 Test #139: testFingerprintGenerators .............. Passed 0.59 sec test 144 Start 144: testPartialCharges 144: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/PartialCharges/testPartialCharges 144: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/PartialCharges 144: Test timeout computed to be: 7200 137/272 Test #144: testPartialCharges ..................... Passed 0.02 sec test 145 Start 145: pyPartialCharges 145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 145: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/PartialCharges/Wrap 145: Test timeout computed to be: 7200 142: ................. 142: ---------------------------------------------------------------------- 142: Ran 17 tests in 0.085s 142: 142: OK 143: ... 143: ---------------------------------------------------------------------- 143: Ran 3 tests in 0.136s 143: 143: OK 138/272 Test #143: pyTestMHFP ............................. Passed 0.33 sec test 146 Start 146: testMolTransforms 146: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms/testMolTransforms 146: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms 146: Test timeout computed to be: 7200 139/272 Test #142: pyTestGenerator ........................ Passed 0.40 sec test 147 Start 147: molTransformsTestCatch 147: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms/molTransformsTestCatch 147: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms 147: Test timeout computed to be: 7200 147: Randomness seeded to: 4252641664 147: =============================================================================== 147: All tests passed (8 assertions in 2 test cases) 147: 140/272 Test #147: molTransformsTestCatch ................. Passed 0.02 sec test 148 Start 148: pyMolTransforms 148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 148: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolTransforms/Wrap 148: Test timeout computed to be: 7200 146: *********************************************************** 146: Testing MolTransforms 146: --------------------------------- 146: test1Canonicalization 146: 146: --------------------------------- 146: testGetSetBondLength 146: 146: --------------------------------- 146: testGetSetAngle 146: 146: --------------------------------- 146: testGetSetDihedral 146: 146: --------------------------------- 146: testGetSetDihedralThroughTripleBond 146: 146: --------------------------------- 146: testGithub1262: PMI descriptors incorrect 146: 146: --------------------------------- 146: testGithub1908: CanonicalizeMol() distorting bond lengths 146: 146: --------------------------------- 146: testGithub4302: native computeCanonicalTransform() generates non-canonical coords 146: 146: --------------------------------- 146: testWeightedCentroid 146: 146: *********************************************************** 141/272 Test #146: testMolTransforms ...................... Passed 0.04 sec test 149 Start 149: forceFieldHelpersCatch 149: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch 149: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers 149: Test timeout computed to be: 7200 149: Randomness seeded to: 2343666943 149: =============================================================================== 149: All tests passed (17 assertions in 2 test cases) 149: 142/272 Test #149: forceFieldHelpersCatch ................. Passed 0.03 sec test 150 Start 150: testMMFFForceFieldHelpers 150: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 150: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF 150: Test timeout computed to be: 7200 145: ....... 145: ---------------------------------------------------------------------- 145: Ran 7 tests in 0.100s 145: 145: OK 150: [14:22:33] ------------------------------------- 150: [14:22:33] Test MMFF atom types. 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing MMFF builder tools. 143/272 Test #145: pyPartialCharges ....................... Passed 0.30 sec test 151 Start 151: testMMFFForceFieldHelpersMultiThread 151: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread 151: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/MMFF 151: Test timeout computed to be: 7200 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing MMFF builder+minimization. 151: [14:22:33] ------------------------------------- 151: [14:22:33] Test MMFF multithreading 151: processing 151: launch :0 151: launch :1 151: launch :2 151: launch :3 151: launch :4 151: launch :5 151: launch :6 151: launch :7 151: launch :8 151: launch :9 151: launch :10 151: launch :11 151: launch :12 151: launch :13 151: launch :14 151: launch :15 151: launch :16 151: launch :17 151: launch :18 151: launch :19 151: launch :20 151: launch :21 151: launch :22 151: launch :23 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing Issue239. 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing calcEnergy with passed coords. 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing calcGrad. 151: done 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing Issue242. 151: [14:22:33] done 144/272 Test #151: testMMFFForceFieldHelpersMultiThread ... Passed 0.17 sec test 152 Start 152: testUFFForceFieldHelpers 152: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 152: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/UFF 152: Test timeout computed to be: 7200 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing github 308: crash during MMFF parameterization . 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing SFIssue1653802. 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Testing SFIssue2378119. 150: [14:22:33] done 150: [14:22:33] ------------------------------------- 150: [14:22:33] Test MMFF force-field parameter getters. 150: [14:22:33] ------------------------------------- 150: [14:22:33] Test MMFF multithreading 152: [14:22:33] ------------------------------------- 152: [14:22:33] Test UFF atom labels. 152: [14:22:33] done 152: [14:22:33] ------------------------------------- 152: [14:22:33] Test UFF atom typer. 152: [14:22:33] done 152: [14:22:33] ------------------------------------- 152: [14:22:33] Testing UFF builder tools. 152: [14:22:33] done 152: [14:22:33] ------------------------------------- 152: [14:22:33] Testing UFF builder+minimization. 150: generating reference data 148: ........ 148: ---------------------------------------------------------------------- 148: Ran 8 tests in 0.030s 148: 148: OK 145/272 Test #148: pyMolTransforms ........................ Passed 0.34 sec test 153 Start 153: testCrystalForceField 153: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField 153: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF 153: Test timeout computed to be: 7200 153: ------------------------------------- 153: Test CrystalFF torsional term. 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing UFF special cases. 152: [14:22:34] UFFTYPER: Unrecognized charge state for atom: 0 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing Issue239. 153: -------------------------------------------- 153: Finite difference Test of Planarity Contribs 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing calcEnergy with passed coords. 146/272 Test #153: testCrystalForceField .................. Passed 0.10 sec test 154 Start 154: crystalForceFieldCatch 154: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF/crystalForceFieldCatch 154: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/CrystalFF 154: Test timeout computed to be: 7200 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing calcGrad. 154: Randomness seeded to: 3593170719 154: =============================================================================== 154: All tests passed (1859 assertions in 2 test cases) 154: 147/272 Test #154: crystalForceFieldCatch ................. Passed 0.04 sec test 155 Start 155: pyForceFieldHelpers 155: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 155: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ForceFieldHelpers/Wrap 155: Test timeout computed to be: 7200 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing SFIssue1653802. 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing SFIssue2378119. 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Test UFF force-field parameter getters. 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing handling missing parameters. 152: [14:22:34] UFFTYPER: Unrecognized hybridization for atom: 0 152: [14:22:34] UFFTYPER: Unrecognized atom type: Cu+1 (0) 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Testing SFIssue3009337. 152: [14:22:34] done 152: [14:22:34] ------------------------------------- 152: [14:22:34] Test UFF multithreading 152: generating reference data 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: ..[14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 152: processing 152: launch :0 152: launch :1 152: launch :2 152: [14:22:34] Rep: 0[14:22:34] Rep: 0 Mol:0 Mol: launch : 152: 1 152: 3 152: [14:22:34] Rep: [14:22:34] Rep: 0 Mol:3 152: 0 Mol:2 152: [14:22:34] Rep: 0 Mol:5 152: [14:22:34] Rep: 0 Mol:9 152: [14:22:34] Rep: 0 Mol:4 152: [14:22:34] Rep: 0 Mol:13 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:22:34] Rep: 0 Mol:7 152: [14:22:34] Rep: 0 Mol:6 152: [14:22:34] Rep: 0 Mol:11 152: [14:22:34] Rep: 0 Mol:17 152: [14:22:34] Rep: 0 Mol:10 152: [14:22:34] Rep: 0 Mol:15 152: [14:22:34] Rep: 0 Mol:19 152: [14:22:34] Rep: 0 Mol:8 152: [14:22:34] Rep: 0 Mol:23 152: [14:22:34] Rep: 0 Mol:27 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:22:34] Rep: 0 Mol:12 152: [14:22:34] Rep: 0 Mol:31 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] UFFTYPER: Unrecognized hybridization for atom: 0 155: [14:22:34] UFFTYPER: Unrecognized atom type: Cu+1 (0) 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:22:34] Rep: 0 Mol:16 155: [14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 155: ...[14:22:34] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:22:34] Rep: 0 Mol:21 152: [14:22:34] Rep: 0 Mol:20 152: [14:22:34] Rep: 0 Mol:25 152: [14:22:34] Rep: 0 Mol:14 152: [14:22:34] Rep: 0 Mol:24 152: [14:22:34] Rep: 0 Mol:29 152: [14:22:34] Rep: 0 Mol:18 152: [14:22:34] Rep: 0 Mol:28 152: [14:22:34] Rep: 0 Mol:22 152: [14:22:34] Rep: 0 Mol:26 155: ..... 155: ---------------------------------------------------------------------- 155: Ran 21 tests in 0.172s 155: 155: OK 152: [14:22:34] Rep: 0 Mol:30 150: processing 150: launch :0 150: launch :1 150: [14:22:34] Rep: 0 Mol:0 150: launch :2 150: [14:22:34] Rep: 0 Mol: launch :[14:22:34] Rep: 0 Mol:21 150: 150: 3 150: [14:22:34] Rep: 0 Mol:3 150: [14:22:34] Rep: 0 Mol:5 148/272 Test #155: pyForceFieldHelpers .................... Passed 0.49 sec test 156 Start 156: testDistGeomHelpers-shard-0/3 156: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "0" "--shard-count" "4" "--rng-seed" "0xc6b611d6" "--order" "rand" 156: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 156: Test timeout computed to be: 7200 150: [14:22:34] Rep: 0 Mol:9 150: [14:22:34] Rep: 0 Mol:4 150: [14:22:34] Rep: 0 Mol:13 150: [14:22:34] Rep: 0 Mol:17 150: [14:22:34] Rep: 0 Mol:6 150: [14:22:34] Rep: 0 Mol:8 150: [14:22:34] Rep: 0 Mol:10 150: [14:22:34] Rep: 0 Mol:12 150: [14:22:34] Rep: 0 Mol:16 150: [14:22:34] Rep: 0 Mol:7 150: [14:22:34] Rep: 0 Mol:11 150: [14:22:34] Rep: 0 Mol:15 150: [14:22:34] Rep: 0 Mol:21 150: [14:22:34] Rep: 0 Mol:19 150: [14:22:34] Rep: 0 Mol:23 150: [14:22:34] Rep: 0 Mol:20 150: [14:22:34] Rep: 0 Mol:27 150: [14:22:34] Rep: 0 Mol:25 150: [14:22:34] Rep: 0 Mol:31 150: [14:22:34] Rep: 0 Mol:24 150: [14:22:34] Rep: 0 Mol:29 150: [14:22:34] Rep: 0 Mol:28 150: [14:22:34] Rep: 0 Mol:14 150: [14:22:34] Rep: 0 Mol:18 150: [14:22:34] Rep: 20 Mol:3 150: [14:22:34] Rep: 20 Mol:7 150: [14:22:34] Rep: 20 Mol:11 150: [14:22:34] Rep: 20 Mol:15 150: [14:22:34] Rep: 20 Mol:19 150: [14:22:34] Rep: 20 Mol:23 150: [14:22:34] Rep: 20 Mol:27 150: [14:22:34] Rep: 20 Mol:31 150: [14:22:34] Rep: 0 Mol:22 150: [14:22:34] Rep: 20 Mol:0 150: [14:22:34] Rep: 20 Mol:4 150: [14:22:34] Rep: 20 Mol:8 150: [14:22:34] Rep: 20 Mol:12 150: [14:22:34] Rep: 20 Mol:16 150: [14:22:34] Rep: 20 Mol:20 150: [14:22:34] Rep: 20 Mol:24 150: [14:22:34] Rep: 20 Mol:28 150: [14:22:34] Rep: 0 Mol:26 150: [14:22:34] Rep: 20 Mol:1 150: [14:22:34] Rep: 20 Mol:5 150: [14:22:34] Rep: 20 Mol:9 150: [14:22:34] Rep: 20 Mol:13 150: [14:22:34] Rep: 20 Mol:17 150: [14:22:34] Rep: 20 Mol:21 150: [14:22:34] Rep: 20 Mol:25 150: [14:22:34] Rep: 20 Mol:29 152: [14:22:34] Rep: 100 Mol:3 152: [14:22:34] Rep: 100 Mol:7 152: [14:22:34] Rep: 100 Mol:11 152: [14:22:34] Rep: 100 Mol:15 152: [14:22:34] Rep: 100 Mol:19 152: [14:22:34] Rep: 100 Mol:23 152: [14:22:34] Rep: 100 Mol:27 152: [14:22:34] Rep: 100 Mol:31 150: [14:22:34] Rep: 0 Mol:30 150: [14:22:34] Rep: 40 Mol:3 150: [14:22:34] Rep: 40 Mol:7 150: [14:22:34] Rep: 40 Mol:11 150: [14:22:34] Rep: 40 Mol:15 150: [14:22:34] Rep: 40 Mol:19 150: [14:22:34] Rep: 40 Mol:23 150: [14:22:34] Rep: 40 Mol:27 150: [14:22:34] Rep: 40 Mol:31 150: [14:22:34] Rep: 40 Mol:0 150: [14:22:34] Rep: 40 Mol:4 150: [14:22:34] Rep: 40 Mol:8 150: [14:22:34] Rep: 40 Mol:12 150: [14:22:34] Rep: 40 Mol:16 150: [14:22:34] Rep: 40 Mol:20 150: [14:22:34] Rep: 40 Mol:24 150: [14:22:34] Rep: 40 Mol:28 150: [14:22:34] Rep: 40 Mol:1 150: [14:22:34] Rep: 40 Mol:5 150: [14:22:34] Rep: 40 Mol:9 150: [14:22:34] Rep: 40 Mol:13 150: [14:22:34] Rep: 40 Mol:17 150: [14:22:34] Rep: 40 Mol:21 150: [14:22:34] Rep: 40 Mol:25 150: [14:22:34] Rep: 40 Mol:29 150: [14:22:34] Rep: 60 Mol:3 150: [14:22:34] Rep: 60 Mol:7 150: [14:22:34] Rep: 60 Mol:11 150: [14:22:34] Rep: 60 Mol:15 150: [14:22:34] Rep: 60 Mol:19 150: [14:22:34] Rep: 60 Mol:23 150: [14:22:34] Rep: 60 Mol:27 150: [14:22:34] Rep: 60 Mol:31 152: [14:22:34] Rep: 100 Mol:0 152: [14:22:34] Rep: 100 Mol:4 152: [14:22:34] Rep: 100 Mol:8 152: [14:22:34] Rep: 100 Mol:12 152: [14:22:34] Rep: 100 Mol:16 152: [14:22:34] Rep: 100 Mol:20 152: [14:22:34] Rep: 100 Mol:24 152: [14:22:34] Rep: 100 Mol:1 152: [14:22:34] Rep: 100 Mol:5 152: [14:22:34] Rep: 100 Mol:28 150: [14:22:34] Rep: 60 Mol:0 152: [14:22:34] Rep: 100 Mol:9 152: [14:22:34] Rep: 100 Mol:13 150: [14:22:34] Rep: 60 Mol:4 152: [14:22:34] Rep: 100 Mol:17 150: [14:22:34] Rep: 60 Mol:8 150: [14:22:34] Rep: 60 Mol:12 150: [14:22:34] Rep: 60 Mol:16 152: [14:22:34] Rep: 100 Mol:21 150: [14:22:34] Rep: 60 Mol:20 152: [14:22:34] Rep: 100 Mol:25 152: [14:22:34] Rep: 100 Mol:29 150: [14:22:34] Rep: 60 Mol:24 150: [14:22:34] Rep: 60 Mol:28 150: [14:22:34] Rep: 80 Mol:3 150: [14:22:34] Rep: 60 Mol:1 150: [14:22:34] Rep: 60 Mol:5 150: [14:22:34] Rep: 80 Mol:7 150: [14:22:34] Rep: 60 Mol:9 150: [14:22:34] Rep: 80 Mol:11 150: [14:22:34] Rep: 60 Mol:13 150: [14:22:34] Rep: 80 Mol:15 150: [14:22:34] Rep: 80 Mol:19 150: [14:22:34] Rep: 60 Mol:17 150: [14:22:34] Rep: 80 Mol:23 150: [14:22:34] Rep: 80 Mol:27 150: [14:22:34] Rep: 80 Mol:31 150: [14:22:34] Rep: 60 Mol:21 150: [14:22:34] Rep: 60 Mol:25 150: [14:22:34] Rep: 60 Mol:29 150: [14:22:34] Rep: 20 Mol:2 150: [14:22:34] Rep: 20 Mol:6 150: [14:22:34] Rep: 20 Mol:10 150: [14:22:34] Rep: 20 Mol:14 150: [14:22:34] Rep: 20 Mol:18 150: [14:22:34] Rep: 20 Mol:22 150: [14:22:34] Rep: 20 Mol:26 150: [14:22:34] Rep: 20 Mol:30 150: [14:22:34] Rep: 80 Mol:0 150: [14:22:34] Rep: 80 Mol:4 150: [14:22:34] Rep: 80 Mol:8 150: [14:22:34] Rep: 80 Mol:12 150: [14:22:34] Rep: 80 Mol:16 150: [14:22:34] Rep: 80 Mol:20 150: [14:22:34] Rep: 80 Mol:24 150: [14:22:34] Rep: 80 Mol:28 150: [14:22:35] Rep: 80 Mol:1 150: [14:22:35] Rep: 80 Mol:5 150: [14:22:35] Rep: 80 Mol:9 150: [14:22:35] Rep: 80 Mol:13 150: [14:22:35] Rep: 80 Mol:17 150: [14:22:35] Rep: 80 Mol:21 150: [14:22:35] Rep: 80 Mol:25 150: [14:22:35] Rep: 80 Mol:29 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test unfolded version of RDKFP 137: [14:22:35] ------------------------------------- 137: [14:22:35] Test bitinfo of RDKFP 137: 562: [ 2 ], 137: 709: [ 0 1 ], 137: 1118: [ 0 1 2 ], 137: 1183: [ 1 2 ], 137: 1233: [ 0 1 2 ], 137: 1308: [ 0 ], [ 1 ], 137: 1339: [ 2 ], 137: 1728: [ 1 2 ], 137: 1772: [ 0 ], [ 1 ], 137: 1813: [ 0 1 ], 137: ------------ 137: [14:22:35] ------------------------------------- 137: [14:22:35] Single atoms setting radius 1 bits in Morgan fingerprints 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #879: Pattern fingerprint should set bits for single-atom fragments. 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #2115: BitInfo not complete for RDKFingerprint 137: [14:22:35] done 137: [14:22:35] ------------------------------------- 137: [14:22:35] Github #3723: Fingerprint crash for mols with Zero order bonds 137: [14:22:35] done 149/272 Test #137: testFingerprints ....................... Passed 2.54 sec test 157 Start 157: testDistGeomHelpers-shard-1/3 157: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "1" "--shard-count" "4" "--rng-seed" "0xc6b611d6" "--order" "rand" 157: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 157: Test timeout computed to be: 7200 152: [14:22:35] Rep: 100 Mol:2 152: [14:22:35] Rep: 100 Mol:6 152: [14:22:35] Rep: 100 Mol:10 152: [14:22:35] Rep: 100 Mol:14 152: [14:22:35] Rep: 100 Mol:18 152: [14:22:35] Rep: 100 Mol:22 152: [14:22:35] Rep: 100 Mol:26 152: [14:22:35] Rep: 100 Mol:30 150: [14:22:35] Rep: 40 Mol:2 150: [14:22:35] Rep: 40 Mol:6 150: [14:22:35] Rep: 40 Mol:10 150: [14:22:35] Rep: 40 Mol:14 150: [14:22:35] Rep: 40 Mol:18 150: [14:22:35] Rep: 40 Mol:22 150: [14:22:35] Rep: 40 Mol:26 150: [14:22:35] Rep: 40 Mol:30 150: [14:22:35] Rep: 60 Mol:2 150: [14:22:35] Rep: 60 Mol:6 150: [14:22:35] Rep: 60 Mol:10 150: [14:22:35] Rep: 60 Mol:14 150: [14:22:35] Rep: 60 Mol:18 150: [14:22:35] Rep: 60 Mol:22 150: [14:22:35] Rep: 60 Mol:26 150: [14:22:35] Rep: 60 Mol:30 150: [14:22:35] Rep: 80 Mol:2 150: [14:22:35] Rep: 80 Mol:6 150: [14:22:35] Rep: 80 Mol:10 150: [14:22:35] Rep: 80 Mol:14 150: [14:22:35] Rep: 80 Mol:18 150: [14:22:35] Rep: 80 Mol:22 150: [14:22:35] Rep: 80 Mol:26 150: [14:22:35] Rep: 80 Mol:30 150: [14:22:35] done 150: [14:22:35] ------------------------------------- 150: [14:22:35] Test MMFF multithreading2 152: [14:22:35] done 152: [14:22:35] ------------------------------------- 152: [14:22:35] Test UFF multithreading2 150: [14:22:35] done 150: [14:22:35] ------------------------------------- 150: [14:22:35] Test MMFF multithreading3 152: [14:22:35] done 152: [14:22:35] ------------------------------------- 152: [14:22:35] Test UFF multithreading3 150: [14:22:36] done 150: [14:22:36] ------------------------------------- 150: [14:22:36] Testing github 162: Incorrect SMILES after MMFF parameterization . 150: [14:22:36] done 150: [14:22:36] ------------------------------------- 150: [14:22:36] Testing github 224: crash during MMFF parameterization . 150: [14:22:36] done 150: [14:22:36] ------------------------------------- 150: [14:22:36] Testing github6728: crash due to missing stretch-bend params. 150: [14:22:36] ------------------------------------- 150: [14:22:36] Testing MMFF nonbonded terms for cyclophosphazene. 150: [14:22:36] done 150/272 Test #150: testMMFFForceFieldHelpers .............. Passed 2.52 sec test 158 Start 158: testDistGeomHelpers-shard-2/3 158: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "2" "--shard-count" "4" "--rng-seed" "0xc6b611d6" "--order" "rand" 158: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 158: Test timeout computed to be: 7200 152: [14:22:36] done 152: [14:22:36] ------------------------------------- 152: [14:22:36] Testing GitHubIssue62. 152: [14:22:36] beta-lactam 39.6387 152: [14:22:36] cyclopropanone 174.698 152: [14:22:36] aziridine 337.986 152: [14:22:36] aziridinone 115.248 152: [14:22:36] isobutene 2.48217 152: [14:22:36] acetone 1.32145 152: [14:22:36] cyclopentanone 10.1648 152: [14:22:36] cyclopropene 99.4921 152: [14:22:36] cyclobutene 41.0156 152: [14:22:36] cyclopropane 267.236 152: [14:22:36] gamma-lactam 15.7471 152: [14:22:36] trans-2,3-diphenylcyclopropan-1-one 203.398 152: [14:22:36] cis-2,3-diphenylcyclopropan-1-one 206.852 152: [14:22:36] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 152: [14:22:36] cyclopropylidencyclobutane 218.879 152: [14:22:36] diphenylmethylidencyclobutane 79.6139 152: [14:22:36] done 152: [14:22:36] ------------------------------------- 152: [14:22:36] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides. 152: [14:22:36] done 152: [14:22:36] ------------------------------------- 152: [14:22:36] Test square planar complexes 152: [14:22:36] done 152: [14:22:36] ------------------------------------- 152: [14:22:36] Test octahedral complexes 152: [14:22:36] done 151/272 Test #152: testUFFForceFieldHelpers ............... Passed 2.56 sec test 159 Start 159: testDistGeomHelpers-shard-3/3 159: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "3" "--shard-count" "4" "--rng-seed" "0xc6b611d6" "--order" "rand" 159: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 159: Test timeout computed to be: 7200 159: Randomness seeded to: 3333820886 159: CNC[C@H]1CC[C@H](C[NH3+])CC1 158: Randomness seeded to: 3333820886 158: building molecules 158: generating reference data 159: CNC[C@H]1CC[C@H](C[NH3+])CC1 159: ------------------------------------- 159: 159: ------------------------------------- 159: 159: ------------------------------------- 159: 159: ------------------------------------- 159: 159: ------------------------------------- 159: 159: ------------------------------------- 159: 159: ------------------------------------- 159: 158: validating reference data 159: =============================================================================== 159: All tests passed (3715 assertions in 11 test cases) 159: 152/272 Test #159: testDistGeomHelpers-shard-3/3 .......... Passed 3.39 sec test 160 Start 160: distGeomHelpersCatch-shard-0/3 160: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "0" "--shard-count" "4" "--rng-seed" "0x6b78c5f0" "--order" "rand" 160: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 160: Test timeout computed to be: 7200 160: Randomness seeded to: 1803077104 160: [14:22:39] Molecule was not parametrized succesfully with the selected force field. Falling back to the Universal Force Field! 160: [14:22:39] UFFTYPER: Unrecognized atom type: S_6+6 (0) 160: [14:22:39] UFFTYPER: Warning: hybridization set to SP3 for atom 0 160: [14:22:39] UFFTYPER: Unrecognized charge state for atom: 0 160: [14:22:39] UFFTYPER: Unrecognized atom type: S_6+6 (0) 160: [14:22:39] UFFTYPER: Warning: hybridization set to SP3 for atom 0 160: [14:22:39] UFFTYPER: Unrecognized charge state for atom: 0 160: [14:22:39] UFFTYPER: Unrecognized atom type: Ge1 (1) 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:22:40] UFFTYPER: Unrecognized charge state for atom: 6 113: Randomness seeded to: 1328440145 113: =============================================================================== 113: All tests passed (340 assertions in 10 test cases) 113: 153/272 Test #113: testSubgraphs1 ......................... Passed 14.09 sec test 161 Start 161: distGeomHelpersCatch-shard-1/3 161: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "1" "--shard-count" "4" "--rng-seed" "0x6b78c5f0" "--order" "rand" 161: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 161: Test timeout computed to be: 7200 161: Randomness seeded to: 1803077104 161: [14:22:40] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:22:40] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:22:40] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:22:40] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:22:40] UFFTYPER: Unrecognized atom type: Pt5+2 (1) 156: [14:22:41] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:22:41] Molecule does not have explicit Hs. Consider calling AddHs() 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 6 156: Randomness seeded to: 3333820886 156: =============================================================================== 156: All tests passed (29488 assertions in 12 test cases) 156: 160: [14:22:41] UFFTYPER: Unrecognized charge state for atom: 6 154/272 Test #156: testDistGeomHelpers-shard-0/3 .......... Passed 6.84 sec test 162 Start 162: distGeomHelpersCatch-shard-2/3 162: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "2" "--shard-count" "4" "--rng-seed" "0x6b78c5f0" "--order" "rand" 162: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 162: Test timeout computed to be: 7200 162: Randomness seeded to: 1803077104 162: [14:22:41] Provided embedForceField FAULTYFF in JSON is not valid. Choose between UFF and MMFF. Falling back to UFF. 162: [14:22:41] Provided embedForceField FAULTYFF in JSON is not valid. Choose between UFF and MMFF. Falling back to UFF. 162: [14:22:41] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 162: [14:22:41] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 162: [14:22:41] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 162: [14:22:41] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 162: ----------- 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 162: ----------- 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 162: ----------- 162: ----------- 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 162: [14:22:41] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 158: processing 158: launch :0 158: launch :1 158: launch :2 158: launch :3 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 161: =============================================================================== 161: All tests passed (2027 assertions in 11 test cases) 161: 97: Base transform of 500x200 molecules took 9147 ms 155/272 Test #161: distGeomHelpersCatch-shard-1/3 ......... Passed 2.09 sec test 163 Start 163: distGeomHelpersCatch-shard-3/3 163: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "3" "--shard-count" "4" "--rng-seed" "0x6b78c5f0" "--order" "rand" 163: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 163: Test timeout computed to be: 7200 157: Randomness seeded to: 3333820886 157: =============================================================================== 157: All tests passed (18584 assertions in 12 test cases) 157: 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 156/272 Test #157: testDistGeomHelpers-shard-1/3 .......... Passed 7.51 sec test 164 Start 164: testDgeomHelpersGH3019-shard-0/1 164: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 "--shard-index" "0" "--shard-count" "2" "--rng-seed" "0x7bc88582" "--order" "rand" 164: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 164: Test timeout computed to be: 7200 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 6 164: Randomness seeded to: 2076738946 164: [14:22:42] Molecule does not have explicit Hs. Consider calling AddHs() 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:22:42] UFFTYPER: Warning: hybridization set to SP3 for atom 11 163: Randomness seeded to: 1803077104 163: [14:22:43] Interrupted, cancelling conformer generation 97: Parallel transform of 500x200 molecules took 758 ms 97: =============================================================================== 97: All tests passed (33358 assertions in 10 test cases) 97: 157/272 Test #97: fileParsersIteratorsTest ............... Passed 21.50 sec test 165 Start 165: testDgeomHelpersGH3019-shard-1/1 165: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 "--shard-index" "1" "--shard-count" "2" "--rng-seed" "0x7bc88582" "--order" "rand" 165: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers 165: Test timeout computed to be: 7200 165: Randomness seeded to: 2076738946 165: [14:22:43] Molecule does not have explicit Hs. Consider calling AddHs() 163: [14:22:43] Interrupted, cancelling conformer generation 160: =============================================================================== 160: All tests passed (23819 assertions in 11 test cases) 160: 158/272 Test #160: distGeomHelpersCatch-shard-0/3 ......... Passed 7.24 sec test 166 Start 166: pyDistGeomHelpers 166: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 166: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DistGeomHelpers/Wrap 166: Test timeout computed to be: 7200 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: ..[14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: ..[14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:47] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:48] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:49] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:49] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:49] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:50] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:50] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:50] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:50] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:50] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:51] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:51] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:51] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:52] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:52] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:22:52] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:22:52] Molecule does not have explicit Hs. Consider calling AddHs() 42: [14:22:55] Finished in 41214 ms 42: [14:22:55] Finished 42: [14:22:55] testing smiles round-tripping. 42: [14:22:55] Finished 42: [14:22:55] testing github #1567: Non-canonical result from MolFragmentToSmiles() 42: [14:22:55] Finished 159/272 Test #42: hanoiTest .............................. Passed 45.22 sec test 167 Start 167: testMolAlign 167: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/testMolAlign 167: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign 167: Test timeout computed to be: 7200 167: *********************************************************** 167: Testing MolAlign 167: --------------------------------- 167: test1MolAlign 167: 167: --------------------------------- 167: test1GetBestRMS 167: 167: --------------------------------- 167: test1MolWithQueryAlign 167: 167: --------------------------------- 167: test2AtomMap 167: 167: --------------------------------- 167: test3Weights 167: 167: --------------------------------- 167: testIssue241 167: 167: *********************************************************** 160/272 Test #167: testMolAlign ........................... Passed 0.12 sec test 168 Start 168: testO3AAlign 168: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/testO3AAlign 168: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign 168: Test timeout computed to be: 7200 168: *********************************************************** 168: Testing O3AAlign 168: --------------------------------- 168: testMMFFO3A 168: 168: --------------------------------- 168: testMMFFO3A with pre-computed dmat and MolHistogram 168: 168: --------------------------------- 168: testMMFFO3A with constraints 168: 168: --------------------------------- 168: testMMFFO3A with variable weight constraints followed by local-only optimization 168: 168: --------------------------------- 168: testCrippenO3A 168: 168: --------------------------------- 168: testCrippenO3A with pre-computed dmat and MolHistogram 168: 168: --------------------------------- 168: testCrippenO3A with constraints 168: 168: --------------------------------- 168: testCrippenO3A with variable weight constraints followed by local-only optimization 168: 168: --------------------------------- 168: testMMFFO3A multithreading 168: 168: generating reference data 168: processing 168: launch :0 168: launch :1 168: launch :2 168: launch :3 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 8 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 29 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 49 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 70 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 89 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 111 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 132 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 153 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 175 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 195 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 215 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 236 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 256 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 278 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 297 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 319 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 339 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 360 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 380 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 402 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 422 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 443 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 464 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 484 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 505 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 525 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 547 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 566 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 586 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 605 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 624 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 645 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 666 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 686 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 707 163: [14:23:01] UFFTYPER: Warning: hybridization set to SP3 for atom 729 163: [14:23:02] Molecule does not have explicit Hs. Consider calling AddHs() 163: [14:23:02] Molecule does not have explicit Hs. Consider calling AddHs() 163: [14:23:02] Molecule does not have explicit Hs. Consider calling AddHs() 168: --------------------------------- 168: test O3A multithreading bug 168: 168: --------------------------------- 168: testCrippenO3A multithreading 168: 168: generating reference data 166: ............[14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:23:12] Molecule does not have explicit Hs. Consider calling AddHs() 168: processing 168: launch :0 168: launch :1 168: launch :2 168: launch :3 166: ...... 166: ---------------------------------------------------------------------- 166: Ran 30 tests in 32.161s 166: 166: OK 161/272 Test #166: pyDistGeomHelpers ...................... Passed 32.78 sec test 169 Start 169: molAlignCatchTest 169: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/molAlignCatchTest 169: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign 169: Test timeout computed to be: 7200 169: Randomness seeded to: 1966860065 169: 33700628 169: 26275956 169: 1080388558 169: 287192702 169: =============================================================================== 169: All tests passed (94 assertions in 5 test cases) 169: 162/272 Test #169: molAlignCatchTest ...................... Passed 1.51 sec test 170 Start 170: pyMolAlign 170: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 170: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolAlign/Wrap 170: Test timeout computed to be: 7200 168: --------------------------------- 168: test getO3AForProbeConfs 168: 168: *********************************************************** 163/272 Test #168: testO3AAlign ........................... Passed 27.71 sec test 171 Start 171: testFeatures 171: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures/testFeatures 171: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures 171: Test timeout computed to be: 7200 171: [14:23:23] ------------------------------------- 171: [14:23:23] AtomType parser testing. 171: [14:23:23] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103] 171: [14:23:23] SMARTS Parse Error: check for mistakes around position 40: 171: [14:23:23] ,O,$([S])_101,$([N,O)_102])_103] 171: [14:23:23] ~~~~~~~~~~~~~~~~~~~~^ 171: [14:23:23] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]' 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] FeatureDefinition parser testing. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Test pulling feat defs from a string. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] FeatureDef functionality testing. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] FeatureFactory testing. 171: [14:23:23] 1 171: [14:23:23] 2 171: [14:23:23] 3 171: [14:23:23] 4 171: [14:23:23] 5 171: [14:23:23] 6 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Feature Location testing. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Test building a FeatureFactory from a file 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing Issue 224. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing Issue 225. 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Test Issue346 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Test Issue347 171: [14:23:23] done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing Issue 348. 171: [14:23:23] SMARTS Parse Error: syntax error while parsing: [C[C] 171: [14:23:23] SMARTS Parse Error: check for mistakes around position 3: 171: [14:23:23] [C[C] 171: [14:23:23] ~~^ 171: [14:23:23] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]' 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing Nested AtomType definitions. 171: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing Github Issue #252: crash when calling getPos() with no conformer. 171: [14:23:23] expect a precondition failure message below 171: [14:23:23] 171: 171: **** 171: Pre-condition Violation 171: molecule has no conformers 171: Violation occurred on line 36 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 171: Failed Expression: dp_mol->getNumConformers() 171: ---------- 171: Stacktrace: 171: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 171: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 171: 2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitMolChemicalFeatures.so.1 171: 3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitMolChemicalFeatures.so.1 171: 4# 0x000000000000CA48 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures/testFeatures 171: 5# 0x0000000000004A64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures/testFeatures 171: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 171: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 171: 8# 0x0000000000005208 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures/testFeatures 171: ---------- 171: **** 171: 171: [14:23:23] Done 171: [14:23:23] ------------------------------------- 171: [14:23:23] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol() 171: [14:23:23] done 164/272 Test #171: testFeatures ........................... Passed 0.02 sec test 172 Start 172: pyChemicalFeatures 172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 172: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolChemicalFeatures/Wrap 172: Test timeout computed to be: 7200 172: ......[14:23:23] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ] 172: [14:23:23] SMARTS Parse Error: check for mistakes around position 8: 172: [14:23:23] [N,O;!HQ] 172: [14:23:23] ~~~~~~~^ 172: [14:23:23] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]' 172: ... 172: ---------------------------------------------------------------------- 172: Ran 9 tests in 0.037s 172: 172: OK 165/272 Test #172: pyChemicalFeatures ..................... Passed 0.24 sec test 173 Start 173: testShapeHelpers 173: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers/testShapeHelpers 173: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers 173: Test timeout computed to be: 7200 173: Randomness seeded to: 2154691526 173: =============================================================================== 173: All tests passed (16 assertions in 3 test cases) 173: 166/272 Test #173: testShapeHelpers ....................... Passed 0.04 sec test 174 Start 174: pyShapeHelpers 174: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 174: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ShapeHelpers/Wrap 174: Test timeout computed to be: 7200 174: . 174: ---------------------------------------------------------------------- 174: Ran 1 test in 0.054s 174: 174: OK 174: Testing Shape Helpers wrapper 167/272 Test #174: pyShapeHelpers ......................... Passed 0.38 sec test 175 Start 175: testMolCatalog 175: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolCatalog/testMolCatalog 175: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolCatalog 175: Test timeout computed to be: 7200 168/272 Test #175: testMolCatalog ......................... Passed 0.02 sec test 176 Start 176: pyMolCatalog 176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 176: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolCatalog/Wrap 176: Test timeout computed to be: 7200 176: ... 176: ---------------------------------------------------------------------- 176: Ran 3 tests in 0.010s 176: 176: OK 169/272 Test #176: pyMolCatalog ........................... Passed 0.22 sec test 177 Start 177: testGaussianShape 177: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape/testGaussianShape 177: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape 177: Test timeout computed to be: 7200 177: Randomness seeded to: 298167007 177: generating reference data 34: [14:23:26] Finished 34: [14:23:26] ------------------------------------- 34: [14:23:26] Test github1843: RWMol.clear() should not destroy ring pointer. 34: [14:23:26] Finished 34: [14:23:26] ------------------------------------- 34: [14:23:26] Test Github 6370: non-physical radical counts being preserved 34: [14:23:26] Finished 170/272 Test #34: graphmolTest1 .......................... Passed 76.77 sec test 178 Start 178: pyGaussianShapeAlign 178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/Wrap/test_rdgaussian_shape.py" 178: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GaussianShape/Wrap 178: Test timeout computed to be: 7200 178: .......... 178: ---------------------------------------------------------------------- 178: Ran 10 tests in 0.527s 178: 178: OK 171/272 Test #178: pyGaussianShapeAlign ................... Passed 0.75 sec test 179 Start 179: moldraw2DTest1 179: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/moldraw2DTest1 179: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D 179: Test timeout computed to be: 7200 179: ----------------- Test 1 179: file test1_1.svg gave hash 1985046227U not the expected 1617157703U 179: file test1_2.svg gave hash 1734406631U not the expected 1799670018U 179: file test1_3.svg gave hash 1372961498U not the expected 2382509631U 179: file test1_4.svg gave hash 2317108477U not the expected 4252277495U 179: file test1_5.svg gave hash 3630896365U not the expected 2811480876U 179: file test1_6.svg gave hash 2011746003U not the expected 2635907956U 179: file test1_7.svg gave hash 3001900409U not the expected 3677608850U 179: Done 179: ----------------- Test 2 179: file test2_1.png gave hash 306125541U not the expected 638584804U 179: file test2_2.png gave hash 2428785574U not the expected 610424244U 179: Done 179: ----------------- Test 4 179: file test4_1.png gave hash 589654215U not the expected 3993974247U 179: file test4_1.svg gave hash 2275116301U not the expected 4157966746U 179: Done 179: ----------------- Test 5 179: file test5_1.png gave hash 896712117U not the expected 571291290U 179: file test5_1.svg gave hash 2411698086U not the expected 4074479420U 179: file test5_2.png gave hash 6102744U not the expected 97265124U 179: file test5_3.png gave hash 2327037583U not the expected 606188176U 179: Done 179: ----------------- Test 6 (atom labels) 179: file test6_1.svg gave hash 3280384589U not the expected 3623418420U 179: file test6_2.svg gave hash 404586776U not the expected 3885689795U 179: file test6_3.svg gave hash 2009537997U not the expected 2753286335U 179: Done 179: ----------------- Test 7 (backgrounds) 179: file test7_1.svg gave hash 843981570U not the expected 1967202587U 179: file test7_1.png gave hash 883302674U not the expected 1322246680U 179: file test7_2.svg gave hash 282341648U not the expected 4217504234U 179: file test7_2.png gave hash 502661019U not the expected 1499012715U 179: Done 179: ----------------- Test8: PrepareMolDrawing 179: Done 179: ----------------- Test multi-threaded drawing 179: reading molecules 179: generating reference drawings 179: processing 179: launch :0 179: launch :1 179: launch :2 179: launch :3 170: ..............[14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:30] Molecule does not have explicit Hs. Consider calling AddHs() 170: ...[14:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 170: ... 170: ---------------------------------------------------------------------- 170: Ran 20 tests in 10.882s 170: 170: OK 170: Testing MolAlign Wrappers 172/272 Test #170: pyMolAlign ............................. Passed 11.34 sec test 180 Start 180: moldraw2DTestCatch 180: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 180: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D 180: Test timeout computed to be: 7200 180: Randomness seeded to: 3389683371 180: file testAtomTags_1.svg gave hash 218578707U not the expected 3187798125U 180: file testAtomTags_2.svg gave hash 3699002592U not the expected 822910240U 180: file testAtomTags_3.svg gave hash 841796060U not the expected 2244078420U 180: file contourMol_1.svg gave hash 4145744301U not the expected 3634867913U 180: file contourMol_2.svg gave hash 3989649685U not the expected 1815941817U 180: file contourMol_3.svg gave hash 1971050659U not the expected 2579392727U 180: file contourMol_4.svg gave hash 1019547012U not the expected 2914799663U 180: file contourMol_5.svg gave hash 1740354641U not the expected 3792684719U 180: file contourMol_6.svg gave hash 4094697931U not the expected 1743220181U 180: file contourMol_7.svg gave hash 3234863128U not the expected 2221193310U 180: file testDativeBonds_2.svg gave hash 3848496661U not the expected 1091476418U 180: file testDativeBonds_2a.svg gave hash 2132663622U not the expected 2463158006U 180: file testDativeBonds_2b.svg gave hash 2143157766U not the expected 3095643972U 180: file testDativeBonds_2c.svg gave hash 3792343097U not the expected 1745138239U 180: file testDativeBonds_2d.svg gave hash 3928103411U not the expected 3279423301U 180: file testFoundations_1.svg gave hash 702673222U not the expected 2283802316U 180: file testFoundations_2.svg gave hash 1574313393U not the expected 2468031318U 180: file testTest_1.svg gave hash 1574313393U not the expected 2468031318U 180: file testAtomBondIndices_1.svg gave hash 616201599U not the expected 2702803018U 180: file testAtomBondIndices_2.svg gave hash 1572186777U not the expected 1564350363U 180: file testAtomBondIndices_3.svg gave hash 2607897548U not the expected 1346662812U 180: file testAtomBondIndices_4.svg gave hash 1781316380U not the expected 662361891U 180: file testAtomBondIndices_5.svg gave hash 793323137U not the expected 1502163147U 180: file testAtomBondIndices_6.svg gave hash 698046127U not the expected 1659568104U 180: file testGithub3226_1.svg gave hash 1436082415U not the expected 831257877U 179: Done 179: ----------------- Test Github #781: Rendering single-atom molecules 179: file testGithub781_3.svg gave hash 1424857602U not the expected 1463918610U 180: file testGithub3226_1.png gave hash 2316023849U not the expected 3165135374U 179: Done 179: ----------------- Test 3 180: file testGithub3226_2.svg gave hash 2346125895U not the expected 3517325227U 180: file testGithub3226_2.png gave hash 1874435847U not the expected 643975155U 179: file test3_1.png gave hash 2824134695U not the expected 675908852U 180: file testGithub3226_3.svg gave hash 1347463652U not the expected 3609721552U 179: file test3_1.svg gave hash 1478649703U not the expected 586189704U 180: file testGithub3226_3.png gave hash 3670629771U not the expected 3119571946U 179: file test3_2.png gave hash 2659544223U not the expected 2452584093U 179: file test3_2.svg gave hash 2659342292U not the expected 1700916148U 180: file testPNGMetadata_1.png gave hash 3142094823U not the expected 997629701U 179: file test3_3.png gave hash 4045487256U not the expected 1907006999U 179: file test3_3.svg gave hash 1819177672U not the expected 1375178959U 179: file test3_4.png gave hash 2128463666U not the expected 2305641511U 179: file test3_4.svg gave hash 2450165916U not the expected 187720898U 180: file testPNGMetadata_2.png gave hash 3544189014U not the expected 1797853056U 179: file test3_5.png gave hash 599131569U not the expected 3842605920U 179: file test3_5.svg gave hash 3974486871U not the expected 300865579U 179: file test3_6.png gave hash 1090035447U not the expected 662622011U 179: file test3_6.svg gave hash 364480952U not the expected 729637096U 180: file testGithub3369_1.svg gave hash 2877401564U not the expected 1227653771U 180: file testIncludeRadicals_1a.svg gave hash 1368422441U not the expected 1829641340U 180: file testLegendsAndDrawing-1.svg gave hash 2844512849U not the expected 3563802758U 180: file testGithub3577-1.svg gave hash 3105871660U not the expected 763116213U 179: file test3_7.png gave hash 1832947893U not the expected 469729412U 179: file test3_7.svg gave hash 3884218319U not the expected 2700118064U 179: Done 179: ----------------- Test Github774: upside-down drawings 179: file test774_1.png gave hash 2661766021U not the expected 428322245U 179: file test774_1.svg gave hash 3587623653U not the expected 1108618931U 179: file test774_2.png gave hash 3418927989U not the expected 4095288521U 179: file test774_2.svg gave hash 1872425818U not the expected 577567569U 179: Done 179: ----------------- Test 9 (molecule legends) 179: file test9_1.svg gave hash 1315528346U not the expected 1484349178U 179: Done 179: ----------------- Test Github852: Lines used to wedge bonds are too thick 179: file test852_1.png gave hash 4258411271U not the expected 271517011U 179: file test852_1.svg gave hash 1744975336U not the expected 2306783336U 180: [14:23:32] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:32] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-1.svg gave hash 2209468531U not the expected 2253418236U 180: [14:23:32] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:32] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 179: file test852_2.png gave hash 1215670001U not the expected 967452082U 179: file test852_2.svg gave hash 61573920U not the expected 936665195U 179: ---------------- 179: file test852_2a.svg gave hash 2425958898U not the expected 3499587182U 179: ---------------- 179: file test852_2b.svg gave hash 798636033U not the expected 2141021605U 179: ---------------- 179: file test852_2c.svg gave hash 909313347U not the expected 465009830U 179: ---------------- 179: file test852_2d.svg gave hash 2390878355U not the expected 714117851U 179: Done 179: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right 179: file test860_1.png gave hash 19531105U not the expected 2835587240U 179: file test860_1.svg gave hash 718471937U not the expected 4071399203U 180: file testHandDrawn-1.png gave hash 3869491872U not the expected 3894611804U 179: file test860_2.png gave hash 1956574660U not the expected 1116015475U 179: file test860_2.svg gave hash 4123557700U not the expected 3926063275U 179: file test860_3.png gave hash 4278767290U not the expected 1872467868U 179: file test860_3.svg gave hash 1139264144U not the expected 2583192182U 179: Done 179: ----------------- Test Github #910: ugly coordinates generated for peptide chains 179: file test910_1.svg gave hash 3545896481U not the expected 2101353772U 179: file test910_2.svg gave hash 1875186548U not the expected 3090433026U 179: Done 179: ----------------- Test Github #932: mistake in SVG for wedged bonds 179: Done 179: ----------------- Test Github #953: default color should not be cyan 179: Done 179: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly 179: file test983_1.svg gave hash 977581182U not the expected 2373378601U 179: file test983_2.svg gave hash 1176297024U not the expected 2571223561U 179: Done 179: ----------------- Test Deuterium, Tritium 179: Done 179: ----------------- Test crossed bonds 179: file crossed_bonds.svg gave hash 2357548724U not the expected 3239666213U 179: Done 179: ----------------- Testing drawing a second molecule 179: Done 179: ----------------- Testing drawing a grid of molecules 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-2.svg gave hash 2509896462U not the expected 794717511U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 179: Done 179: ----------------- Testing drawMolecules 179: file test12_1.svg gave hash 882535617U not the expected 3779248118U 180: file testHandDrawn-2.png gave hash 265204111U not the expected 1443443188U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-3.svg gave hash 3132677810U not the expected 3982694296U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 179: file test12_5.svg gave hash 4202817644U not the expected 822651752U 180: file testHandDrawn-3.png gave hash 2090312137U not the expected 865629432U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-4.svg gave hash 201818655U not the expected 2146113517U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 179: file test12_3.svg gave hash 76125778U not the expected 2546399002U 180: file testHandDrawn-4.png gave hash 3196593546U not the expected 3919767093U 179: file test12_4.svg gave hash 76125778U not the expected 2546399002U 179: file test12_2.svg gave hash 215988394U not the expected 3077976371U 179: Done 179: ----------------- Test JSON Configuration 179: file test13_1.svg gave hash 3001826499U not the expected 3606927863U 179: Done 179: ----------------- Testing github 1090: escape html characters in SVG output 179: file testGithub1090_1.svg gave hash 3058378332U not the expected 874921274U 179: Done 179: ----------------- Testing github 1035: overflow bug in SVG color generation 179: Done 179: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes 179: Done 179: ----------------- Testing github 1322: add custom atom labels 179: Done 179: ----------------- Testing use of a black & white palette 179: file test14_1.svg gave hash 2593240709U not the expected 3999745197U 179: file test14_2.svg gave hash 1180313442U not the expected 1367250174U 179: Done 179: ----------------- Testing use of continuous highlighting with drawMolecules 179: Done 179: ----------------- Test 17 - Testing maximum font size 179: file test17_1.svg gave hash 2260184712U not the expected 75329691U 179: file test17_2.svg gave hash 659077001U not the expected 2699803606U 179: file test17_3.svg gave hash 1926066932U not the expected 2996396838U 179: file test17_4.svg gave hash 2257385465U not the expected 2390212603U 179: Done 179: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list 179: Done 179: ----------------- Testing use of fixed scales for drawing. 179: file test18_1.svg gave hash 2822503554U not the expected 1704156856U 179: file test18_2.svg gave hash 87275510U not the expected 597526679U 179: file test18_3.svg gave hash 462714424U not the expected 3425044116U 179: file test18_4.svg gave hash 4133375261U not the expected 1519252882U 179: file test18_5.svg gave hash 3292000573U not the expected 486224214U 179: file test18_6.svg gave hash 1887921954U not the expected 3016814772U 179: file test18_7.svg gave hash 3045567250U not the expected 926168958U 179: Done 179: ----------------- Testing rotation of 2D drawing. 179: file test19_1.svg gave hash 2694201698U not the expected 4060393720U 179: file test19_2.svg gave hash 1246619427U not the expected 4171949096U 179: Done 179: ----------------- Testing inclusion of molecule metadata 179: file test16_1.svg gave hash 1487161020U not the expected 62134348U 179: Done 179: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default 179: file testGithub2063_1.svg gave hash 992781977U not the expected 1908318348U 179: file testGithub2063_2.svg gave hash 992781977U not the expected 1908318348U 179: Done 179: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions 179: file testGithub2151_1.svg gave hash 2256873180U not the expected 4119581143U 179: file testGithub2151_2.svg gave hash 696239778U not the expected 425960913U 179: Done 179: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn 179: Done 179: ----------------- Testing testGithub2931: multi-coloured molecule highlights. 179: file testGithub2931_1.svg gave hash 29840982U not the expected 3635831631U 179: file testGithub2931_2.svg gave hash 4185073635U not the expected 2281185190U 179: file testGithub2931_3.svg gave hash 1425718492U not the expected 2885834646U 179: file testGithub2931_4.svg gave hash 1183187435U not the expected 709559976U 179: Done 179: ----------------- Testing annotation of 2D Drawing. 179: file test20_1.png gave hash 67627015U not the expected 200877868U 179: file test20_1.svg gave hash 186455395U not the expected 4276517022U 179: file test20_2.png gave hash 2612525380U not the expected 1651164846U 179: file test20_2.svg gave hash 2507367286U not the expected 2037634551U 179: file test20_3.png gave hash 612465332U not the expected 1463603076U 179: file test20_3.svg gave hash 1981610256U not the expected 2689385188U 179: file test20_4.png gave hash 3080847849U not the expected 1714613205U 179: file test20_4.svg gave hash 3582806359U not the expected 4113839132U 179: Done 179: ----------------- Test 21 - different font 179: file test21_1.svg gave hash 3619403813U not the expected 390968884U 179: file test21_2.svg gave hash 3451775223U not the expected 3050176664U 179: Done 179: ----------------- Test 22 - draw explicit methyls. 179: file test22_1.svg gave hash 3426768357U not the expected 3688394300U 179: file test22_2.svg gave hash 1936546203U not the expected 1963311622U 179: Done 179: ----------------- Testing drawing of legends. 179: Done 179: ----------------- Test Github 3305 - change and scale line widths. 179: file testGithub3305_1.svg gave hash 3426768357U not the expected 3688394300U 179: file testGithub3305_2.svg gave hash 193465986U not the expected 3172298658U 179: file testGithub3305_3.svg gave hash 3399005512U not the expected 30441258U 179: file testGithub3305_1.png gave hash 772915458U not the expected 3303791649U 179: file testGithub3305_2.png gave hash 3309900643U not the expected 4003267433U 179: file testGithub3305_3.png gave hash 3832602165U not the expected 273338209U 179: file testGithub3305_4.png gave hash 599131569U not the expected 3842605920U 179: file testGithub3305_4.svg gave hash 3974486871U not the expected 300865579U 179: file testGithub3305_5.png gave hash 1364272142U not the expected 151279576U 179: file testGithub3305_5.svg gave hash 3795236178U not the expected 1335449325U 179: file testGithub3305_6.png gave hash 712950745U not the expected 613418460U 179: file testGithub3305_6.svg gave hash 1635410848U not the expected 4242832627U 179: file testGithub3305_7.png gave hash 3078656146U not the expected 2835747678U 179: file testGithub3305_7.svg gave hash 1754352042U not the expected 1080046861U 179: Done 179: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules. 179: file testGithub3391_2.svg gave hash 125472716U not the expected 790336526U 179: file testGithub3391_3.svg gave hash 1123624399U not the expected 1779122782U 179: Done 179: ----------------- Test Github 4156 - bad scale for radicals in grid 179: Done 179: ----------------- Test JSON atomColourPalette 179: file test23_1.svg gave hash 724753536U not the expected 244577595U 179: Done 179: ----------------- Test draw aromatic OR queries 179: file testGithub4496_1.svg gave hash 1913624133U not the expected 148519702U 179: Done 179: ----------------- Test AND queries 179: Done 173/272 Test #179: moldraw2DTest1 ......................... Passed 5.93 sec test 181 Start 181: moldraw2DRxnTest1 181: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1 181: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D 181: Test timeout computed to be: 7200 181: ----------------- Test 1 181: file rxn_test1_1.png gave hash 3317405276U not the expected 801892091U 181: file rxn_test1_1.svg gave hash 2895800765U not the expected 4280849065U 181: file rxn_test1_2.png gave hash 2899151089U not the expected 507435337U 181: file rxn_test1_2.svg gave hash 4048348745U not the expected 2640646320U 181: file rxn_test1_3.png gave hash 2848875571U not the expected 1590809137U 181: file rxn_test1_3.svg gave hash 1730295451U not the expected 2781928588U 181: file rxn_test1_4.png gave hash 1009775803U not the expected 1766700542U 181: file rxn_test1_4.svg gave hash 1951052784U not the expected 437863065U 181: file rxn_test1_5.png gave hash 3826496250U not the expected 2552100594U 181: file rxn_test1_5.svg gave hash 2952130468U not the expected 3590497359U 181: file rxn_test1_6.png gave hash 3183025178U not the expected 3791582903U 181: file rxn_test1_6.svg gave hash 1245887687U not the expected 3289415410U 181: file rxn_test1_7.png gave hash 2325305815U not the expected 1461397406U 181: file rxn_test1_7.svg gave hash 3495425402U not the expected 1831465890U 181: Done 181: ----------------- Test 2: some examples that caused problems in testing 181: file rxn_test2_1.png gave hash 4106437520U not the expected 3551633840U 181: file rxn_test2_1.svg gave hash 3949901881U not the expected 3702350010U 181: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1 CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2 CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C 181: file rxn_test2_2_1.png gave hash 3920834245U not the expected 1268122583U 181: file rxn_test2_2_1.svg gave hash 1373387618U not the expected 3044844617U 181: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4 Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl 181: file rxn_test2_2_2.png gave hash 806627464U not the expected 82821108U 181: file rxn_test2_2_2.svg gave hash 3270107926U not the expected 269990608U 181: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11] Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C 181: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl 181: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8] CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C 181: file rxn_test2_2_3.png gave hash 3266471778U not the expected 3828365604U 181: file rxn_test2_2_3.svg gave hash 1995182177U not the expected 2459428150U 181: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC 181: file rxn_test2_2_4.png gave hash 1128169200U not the expected 1230108677U 181: file rxn_test2_2_4.svg gave hash 3461434985U not the expected 2528579930U 181: Done 181: ----------------- Test 3: test reactant highlighting 181: file rxn_test3_1.png gave hash 3009572282U not the expected 4189980366U 181: file rxn_test3_1.svg gave hash 1630872087U not the expected 2912956802U 181: Done 181: ----------------- Test 4: some examples from SMARTS in testing 181: draw! 181: file rxn_test4_1.png gave hash 1564746031U not the expected 2745201873U 181: file rxn_test4_1.svg gave hash 2517063300U not the expected 1758099294U 181: done 181: file rxn_test4_2.png gave hash 4015148078U not the expected 3094925886U 181: file rxn_test4_2.svg gave hash 1173414643U not the expected 3493436271U 181: Done 174/272 Test #181: moldraw2DRxnTest1 ...................... Passed 0.38 sec test 182 Start 182: pyMolDraw2D 182: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 182: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolDraw2D/Wrap 182: Test timeout computed to be: 7200 180: file testHandDrawn-5a.svg gave hash 3601933132U not the expected 1567781555U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-5b.svg gave hash 771050606U not the expected 66354106U 180: [14:23:33] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:23:33] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-5.png gave hash 1944459094U not the expected 828378555U 180: file testBrackets-1a.svg gave hash 64586795U not the expected 4189399574U 180: file testBrackets-1b.svg gave hash 219987106U not the expected 3773894816U 180: file testBrackets-1c.svg gave hash 64586795U not the expected 4189399574U 180: file testBrackets-1d.svg gave hash 219987106U not the expected 3773894816U 180: file testBrackets-1e.svg gave hash 3788532828U not the expected 2492125470U 180: file testBrackets-2a.svg gave hash 574382548U not the expected 1050851904U 180: file testBrackets-2b.svg gave hash 1148554894U not the expected 776446765U 180: file testBrackets-2c.svg gave hash 574382548U not the expected 1050851904U 180: file testBrackets-2d.svg gave hash 1148554894U not the expected 776446765U 180: file testBrackets-3a.svg gave hash 1312826578U not the expected 3096284602U 180: file testBrackets-4a.svg gave hash 4109127586U not the expected 3837821771U 180: file testBrackets-4b.svg gave hash 3897543317U not the expected 1477006167U 180: file testBrackets-5a.svg gave hash 294328997U not the expected 1447240271U 180: file testBrackets-5768.svg gave hash 2223513506U not the expected 2559120196U 180: file testSGroupData-1a.svg gave hash 627746375U not the expected 426096222U 180: file testSGroupData-1b.svg gave hash 2982497807U not the expected 1688385103U 180: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 180: file testSGroupData-2a.svg gave hash 1962776608U not the expected 195363059U 180: file testSGroupData-2b.svg gave hash 1195762135U not the expected 942041938U 180: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 180: file testPositionVariation-1.svg gave hash 3048720516U not the expected 1347003808U 180: file testPositionVariation-1b.svg gave hash 1295098836U not the expected 3269244452U 180: file testPositionVariation-2.svg gave hash 1267344267U not the expected 473948585U 180: file testPositionVariation-3.svg gave hash 762081802U not the expected 4039188982U 180: file testPositionVariation-4.svg gave hash 27316031U not the expected 3407574474U 180: file testNoAtomLabels-1.svg gave hash 574617410U not the expected 4255907058U 180: file testNoAtomLabels-2.svg gave hash 4064826243U not the expected 3643749531U 180: file testQueryBonds-1a.svg gave hash 4014427809U not the expected 1525751327U 180: file testQueryBonds-1b.svg gave hash 2936984779U not the expected 2239724223U 180: file testQueryBonds-1c.svg gave hash 3871378016U not the expected 2434786487U 180: file testQueryBonds-2.svg gave hash 2707675342U not the expected 3399320861U 180: file testLinkNodes-2-0.svg gave hash 4034645063U not the expected 145749789U 180: file testLinkNodes-2-30.svg gave hash 672481277U not the expected 3203923109U 180: file testLinkNodes-2-60.svg gave hash 705226084U not the expected 2004079267U 180: file testLinkNodes-2-90.svg gave hash 3571272174U not the expected 171994932U 180: file testLinkNodes-2-120.svg gave hash 230633195U not the expected 673333745U 180: file testLinkNodes-2-150.svg gave hash 1751250656U not the expected 51965551U 180: file testLinkNodes-2-180.svg gave hash 1099619505U not the expected 433020402U 180: file testMolAnnotations-1.svg gave hash 3934947265U not the expected 1638024035U 180: file testMolAnnotations-2a.svg gave hash 1193917943U not the expected 3029896996U 180: file testMolAnnotations-2b.svg gave hash 2355289578U not the expected 3110016833U 180: file testMolAnnotations-2c.svg gave hash 4122989233U not the expected 611992302U 180: file testMolAnnotations-3a.svg gave hash 1541740048U not the expected 55379064U 180: file testMolAnnotations-3b.svg gave hash 2305193104U not the expected 936144383U 180: file testMolAnnotations-3c.svg gave hash 234130169U not the expected 3983292921U 180: file testMolAnnotations-3d.svg gave hash 981930579U not the expected 748075045U 180: file testMolAnnotations-4a.svg gave hash 981625697U not the expected 3474490519U 180: file testLinkNodes-1-0.svg gave hash 1742740041U not the expected 3845035394U 180: file testLinkNodes-1-30.svg gave hash 290570218U not the expected 3207457801U 180: file testLinkNodes-1-60.svg gave hash 293757258U not the expected 2620138210U 180: file testLinkNodes-1-90.svg gave hash 2184207504U not the expected 1457485851U 180: file testLinkNodes-1-120.svg gave hash 1777381842U not the expected 4267267665U 180: file testLinkNodes-1-150.svg gave hash 3520382532U not the expected 574622776U 180: file testLinkNodes-1-180.svg gave hash 638488040U not the expected 2541146503U 180: file testGithub3744.svg gave hash 1280540500U not the expected 387800653U 180: file testAtomLists-1.svg gave hash 3215681292U not the expected 1887579391U 180: file testAtomLists-2.svg gave hash 539170302U not the expected 555139782U 180: file testIsoDummyIso.svg gave hash 3319443622U not the expected 2405371137U 180: file testNoIsoDummyIso.svg gave hash 1461272805U not the expected 748558214U 180: file testIsoNoDummyIso.svg gave hash 2432588025U not the expected 3054263824U 180: file testNoIsoNoDummyIso.svg gave hash 247862132U not the expected 1185561148U 180: file testHydrogenBonds1.svg gave hash 2225826152U not the expected 2605974904U 180: [14:23:34] unrecognized bond typefile testHydrogenBonds2.svg gave hash 4149192934U not the expected 645414593U 180: file testGithub2976.svg gave hash 3591486868U not the expected 4194649417U 180: file testReactionCoords.svg gave hash 3403716630U not the expected 798999015U 180: file testAnnotationColors.svg gave hash 2161803217U not the expected 3297011749U 180: file testGithub4238_1.svg gave hash 969871003U not the expected 1477013392U 180: file testGithub4238_1.png gave hash 654055363U not the expected 2623427676U 180: file testGithub4323_1.svg gave hash 3737732114U not the expected 2536621192U 180: file testGithub4323_2.svg gave hash 239576008U not the expected 2120846759U 180: file testGithub4323_3.svg gave hash 1806358430U not the expected 4156867630U 180: file testGithub4323_4.svg gave hash 3413065852U not the expected 3824125601U 180: file testGithub4323_1.png gave hash 2833944435U not the expected 3075787867U 182: ...[14:23:34] Font file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Amadeus.ttf not found. 182: [14:23:34] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 182: ............[14:23:34] 182: 182: **** 182: Pre-condition Violation 182: molecule must not be None 182: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp 182: Failed Expression: m 182: ---------- 182: Stacktrace: 182: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 182: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 182: 2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so 182: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector7 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so 182: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 182: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 182: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 182: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 182: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 182: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 182: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 14# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 15# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 16# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 17# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 18# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 23# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 24# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 25# _PyObject_MakeTpCall in /usr/bin/python3 182: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 27# 0x00000000002AADF4 in /usr/bin/python3 182: 28# 0x00000000000AADF0 in /usr/bin/python3 182: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 30# 0x00000000002AADF4 in /usr/bin/python3 182: 31# 0x00000000000AC98C in /usr/bin/python3 182: 32# 0x000000000019A2B8 in /usr/bin/python3 182: 33# _PyObject_MakeTpCall in /usr/bin/python3 182: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 35# 0x00000000002AADF4 in /usr/bin/python3 182: 36# 0x00000000000AADF0 in /usr/bin/python3 182: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 38# 0x00000000002AADF4 in /usr/bin/python3 182: 39# 0x00000000000AC98C in /usr/bin/python3 182: 40# 0x000000000019A2B8 in /usr/bin/python3 182: 41# _PyObject_MakeTpCall in /usr/bin/python3 182: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 43# 0x00000000002AADF4 in /usr/bin/python3 182: 44# 0x00000000000AADF0 in /usr/bin/python3 182: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 46# 0x00000000002AADF4 in /usr/bin/python3 182: 47# 0x00000000000AC98C in /usr/bin/python3 182: 48# 0x000000000019A2B8 in /usr/bin/python3 182: 49# _PyObject_MakeTpCall in /usr/bin/python3 182: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 51# 0x00000000002AADF4 in /usr/bin/python3 182: 52# 0x00000000000AC98C in /usr/bin/python3 182: 53# 0x0000000000193854 in /usr/bin/python3 182: 54# 0x0000000000189714 in /usr/bin/python3 182: 55# _PyObject_MakeTpCall in /usr/bin/python3 182: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 57# PyEval_EvalCode in /usr/bin/python3 182: 58# 0x000000000033C338 in /usr/bin/python3 182: 59# 0x000000000033ECB8 in /usr/bin/python3 182: 60# 0x000000000033F214 in /usr/bin/python3 182: 61# 0x000000000037E5E8 in /usr/bin/python3 182: 62# Py_BytesMain in /usr/bin/python3 182: 63# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 182: 64# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 182: 65# _start in /usr/bin/python3 182: ---------- 182: **** 182: 180: file testGithub4323_3.png gave hash 742450313U not the expected 381907253U 180: file testGithub4508_1.svg gave hash 3997425663U not the expected 2047652713U 180: file testGithub4508_1b.svg gave hash 752613481U not the expected 2681019776U 180: file testGithub4508_2.svg gave hash 140987875U not the expected 1382076550U 180: file testGithub4508_2b.svg gave hash 3248878105U not the expected 4005636724U 180: file testDarkMode.1.svg gave hash 4140885122U not the expected 4157562958U 180: file testMonochrome.1.svg gave hash 1950001511U not the expected 482290994U 180: file testMonochrome.2.svg gave hash 1044275957U not the expected 2128285153U 180: file testAvalon.1.svg gave hash 2114639421U not the expected 477303888U 180: file testCDK.1.svg gave hash 3003822600U not the expected 1764612361U 182: .......................... 182: ---------------------------------------------------------------------- 182: Ran 41 tests in 0.261s 182: 182: OK 182: json lasso 175/272 Test #182: pyMolDraw2D ............................ Passed 0.64 sec test 183 Start 183: testFMCS 183: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/testFMCS 183: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS 183: Test timeout computed to be: 7200 180: file testBaseFontSize.1a.svg gave hash 2274770920U not the expected 1295117205U 180: file testBaseFontSize.1b.svg gave hash 1203771899U not the expected 3595811515U 180: file testBaseFontSize.2a.svg gave hash 1704350166U not the expected 2958687877U 180: file testBaseFontSize.2b.svg gave hash 3344593609U not the expected 1786972332U 180: file testFlexiCanvas.1a.svg gave hash 1110752127U not the expected 22565973U 180: file testFlexiCanvas.2a.png gave hash 2250756823U not the expected 2609920321U 180: file testFlexiCanvas.2b.png gave hash 2881292101U not the expected 3615599154U 180: file testSemiFlexiCanvas.1b.svg gave hash 2064946936U not the expected 2578007908U 180: file testGithub4764.sz1.svg gave hash 610285283U not the expected 3611125861U 180: file testGithub4764.sz2.svg gave hash 2783146430U not the expected 1936114454U 180: file testGithub4764.sz3.svg gave hash 1877587978U not the expected 2712214121U 180: file testGithub4764.sz1.png gave hash 809863744U not the expected 2179222277U 180: file testGithub4764.sz2.png gave hash 1381423692U not the expected 444262090U 180: file testGithub4764.sz3.png gave hash 1233927300U not the expected 3567162200U 180: file testDrawArc1.svg gave hash 2570257638U not the expected 3279637525U 180: file testMetalWedges.svg gave hash 2228631642U not the expected 2896721486U 180: file testVariableLegend_1.svg gave hash 1321140093U not the expected 1208675629U 180: file testVariableLegend_2.svg gave hash 3801197506U not the expected 799897710U 180: file testVariableLegend_3.svg gave hash 2311818056U not the expected 2599269417U 180: file testGithub_5061.svg gave hash 1693817644U not the expected 2050932431U 180: file testGithub_5269_1.svg gave hash 885640477U not the expected 4160868253U 180: file testGithub_5269_2.svg gave hash 3106933409U not the expected 488926221U 180: file test_classes_wavy_bonds.svg gave hash 717756861U not the expected 1694809514U 180: file github5383_1.svg gave hash 3989649685U not the expected 1815941817U 180: file github5383_2.svg gave hash 65098635U not the expected 0U 180: file github5383_1.png gave hash 1462181073U not the expected 2893520928U 180: file github5156_1.svg gave hash 369772438U not the expected 2145907703U 180: file github5156_2.svg gave hash 215715337U not the expected 4184795863U 180: file acs1996_1.svg gave hash 3677925411U not the expected 1111630317U 180: file acs1996_1.png gave hash 4180586395U not the expected 2329725800U 180: file acs1996_2.svg gave hash 505377582U not the expected 908745273U 180: file acs1996_2.png gave hash 359740943U not the expected 2996350718U 180: file acs1996_3.svg gave hash 826542444U not the expected 879041204U 180: file acs1996_4.svg gave hash 3298235270U not the expected 1550424006U 180: file acs1996_5.svg gave hash 3187680891U not the expected 3624853279U 180: file acs1996_6.svg gave hash 613141399U not the expected 3810124161U 180: file acs1996_7.svg gave hash 3125982476U not the expected 1113821459U 180: file acs1996_8.svg gave hash 3706567198U not the expected 4110469272U 180: file acs1996_9.svg gave hash 1006094864U not the expected 231896677U 180: file acs1996_10.svg gave hash 2806043399U not the expected 2229333301U 180: file acs1996_11.svg gave hash 3532049063U not the expected 4107969968U 180: [14:23:35] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1. The scale will be fixed, and that may not look great with a pre-determined size. 180: file acs1996_12.svg gave hash 3323223576U not the expected 2930884583U 180: file test_unspec_stereo.svg gave hash 738766093U not the expected 3923423666U 180: file light_blue_h_no_label_1.svg gave hash 3446048976U not the expected 1615074554U 180: file bond_highlights_1.svg gave hash 3079376071U not the expected 3461339568U 180: file bond_highlights_2.svg gave hash 1102116292U not the expected 4196744632U 180: file bond_highlights_3.svg gave hash 3096073453U not the expected 1492806612U 180: file bond_highlights_4.svg gave hash 3096073453U not the expected 1492806612U 180: file bond_highlights_5.svg gave hash 1570551460U not the expected 1018090699U 180: file bond_highlights_6.svg gave hash 2160448018U not the expected 2808634572U 180: file bond_highlights_7.svg gave hash 2360961068U not the expected 2160801877U 180: file bond_highlights_8.svg gave hash 582160932U not the expected 3119784980U 180: file bond_highlights_9.svg gave hash 3952673208U not the expected 3999278931U 180: file testGithub5486_1.svg gave hash 1690505493U not the expected 3146085634U 180: file testGithub5511_1.svg gave hash 2052070600U not the expected 3975118836U 180: file testGithub5511_2.svg gave hash 4270414795U not the expected 1730094503U 180: file test_github_5534.svg gave hash 2321188208U not the expected 4139208597U 180: file test_github5704_1.svg gave hash 2750231117U not the expected 1676917819U 180: file test_github5704_2.svg gave hash 2842843814U not the expected 2959183882U 180: file test_github5704_3.svg gave hash 3877554301U not the expected 1303839406U 180: file test_github5704_4.svg gave hash 1994163028U not the expected 578468407U 180: file test_github5767.svg gave hash 3276045309U not the expected 3943519724U 180: file test_github5947.svg gave hash 155317409U not the expected 3122633523U 180: file test_github5943.svg gave hash 2101435859U not the expected 1113511714U 180: file test_github5949.svg gave hash 3224019254U not the expected 420848566U 180: file test_github5974.svg gave hash 1343954295U not the expected 1522014196U 180: file test_github5963.svg gave hash 1303711292U not the expected 941197725U 180: file test_github6025.svg gave hash 1204533871U not the expected 2316385019U 180: file test_github6027_1.svg gave hash 3135827679U not the expected 1504848694U 180: file test_github6027_2.svg gave hash 3945179782U not the expected 765638922U 180: file test_github6041b.svg gave hash 2752681297U not the expected 444537337U 180: file test_complex_query_atoms_1.svg gave hash 1858963124U not the expected 1058348348U 180: file test_complex_query_atoms_2.svg gave hash 1035480271U not the expected 3820627663U 180: file test_complex_query_atoms_3.svg gave hash 1686043631U not the expected 2574610745U 180: file test_complex_query_atoms_4.svg gave hash 1686043631U not the expected 2574610745U 180: file test_complex_query_atoms_5.svg gave hash 2203803203U not the expected 2239402605U 180: file test_complex_query_atoms_6.svg gave hash 3698041037U not the expected 2784917732U 180: file test_complex_query_atoms_7.svg gave hash 1245832599U not the expected 4016570948U 180: file test_complex_query_atoms_8.svg gave hash 1294989648U not the expected 1215989604U 180: file test_complex_query_atoms_9.svg gave hash 1115198970U not the expected 774489308U 180: file test_complex_query_atoms_10.svg gave hash 2517251618U not the expected 1888858967U 180: file test_complex_query_atoms_11.svg gave hash 3242318807U not the expected 2202417832U 180: file test_complex_query_atoms_12.svg gave hash 1172019267U not the expected 4094464645U 180: file test_complex_query_atoms_13.svg gave hash 1243902839U not the expected 2082462146U 180: file test_complex_query_atoms_14.svg gave hash 144421840U not the expected 3306293765U 180: file test_complex_query_atoms_15.svg gave hash 350162044U not the expected 422354297U 180: file test_complex_query_atoms_16.svg gave hash 2056433870U not the expected 1559600050U 180: file test_github6112.svg gave hash 2632528034U not the expected 3278777629U 180: file test_github6160_1.svg gave hash 1868684565U not the expected 1248002094U 180: file test_github6160_2.svg gave hash 406738481U not the expected 3845316354U 180: file test_github6160_3.svg gave hash 3937725957U not the expected 332436229U 180: file test_github6200_1.svg gave hash 1445401918U not the expected 1975293465U 180: file test_github6200_2.svg gave hash 1251662961U not the expected 2658818798U 180: file test_queryColour_1.svg gave hash 1596297458U not the expected 778322651U 180: file test_queryColour_2.svg gave hash 1569318433U not the expected 45913095U 180: file github6336_1.png gave hash 958785365U not the expected 2958833204U 180: file github6336_1.svg gave hash 1390783959U not the expected 612606818U 180: file github6416.svg gave hash 204958662U not the expected 3814405016U 180: file test_github6400_1.svg gave hash 3669796685U not the expected 2792561051U 180: file github6504_1.svg gave hash 3341951270U not the expected 3649936662U 180: file github6504_2.svg gave hash 4040076192U not the expected 106020287U 180: file github6569_1.svg gave hash 1904338201U not the expected 1698514747U 180: file github6569_2.svg gave hash 3753962909U not the expected 3269796969U 180: file lasso_highlights_1.svg gave hash 1486697487U not the expected 3709434534U 180: file lasso_highlights_2.svg gave hash 2337605794U not the expected 757121560U 180: file lasso_highlights_3.svg gave hash 2335828577U not the expected 556406365U 180: file lasso_highlights_4.svg gave hash 418948115U not the expected 4148844874U 180: file lasso_highlights_5.svg gave hash 88179892U not the expected 3920196793U 180: file lasso_highlights_6.svg gave hash 4057458673U not the expected 2113147733U 180: file lasso_highlights_7.svg gave hash 1759335409U not the expected 514868036U 180: file lasso_highlights_8.svg gave hash 2072576322U not the expected 3231367552U 180: file bad_lasso_1.svg gave hash 1824233713U not the expected 726527516U 180: file AtropManyChiralsEnhanced.svg gave hash 1359343050U not the expected 920164649U 180: file testGithub6968.svg gave hash 745568595U not the expected 577496246U 180: file testGithub7036_2.svg gave hash 2093741698U not the expected 2411796331U 180: file testGithub7036_1.svg gave hash 1700645568U not the expected 303621762U 180: file testWedgeNonSingleBonds-1.svg gave hash 1476167396U not the expected 2116685919U 180: file testWedgeNonSingleBonds-2.svg gave hash 465473374U not the expected 1174395532U 180: file testWedgeNonSingleBonds-3.svg gave hash 352082831U not the expected 2542970771U 180: file testWedgeNonSingleBonds-4.svg gave hash 1744898749U not the expected 700876833U 180: file testWedgeNonSingleBonds-5.svg gave hash 725983439U not the expected 2012191155U 180: file testWedgeNonSingleBonds-6.svg gave hash 478779300U not the expected 2517061935U 180: file testWedgeNonSingleBonds-7.svg gave hash 1857386186U not the expected 157069219U 180: file testWedgeNonSingleBonds-8.svg gave hash 1462975976U not the expected 3431784338U 180: file testWedgingShouldBeOnSingleBond.svg gave hash 518479263U not the expected 1002741488U 180: file testDuplicateEnhancedStereoLabelsAddAnnotationFalse.svg gave hash 596604646U not the expected 2980189527U 180: file testDuplicateEnhancedStereoLabelsAddAnnotationTrue.svg gave hash 596604646U not the expected 1462263453U 180: file testComplexQueryAtomMap.svg gave hash 1780085415U not the expected 722421835U 180: file testHighlightHeteroAtoms_1.svg gave hash 3232566000U not the expected 1769258632U 180: file testHighlightHeteroAtoms_2.svg gave hash 118675877U not the expected 893937335U 180: file testGithub_7739_1.svg gave hash 335583911U not the expected 2615562225U 180: file testGithub_7739_2.svg gave hash 4174704494U not the expected 2225049332U 180: file testGithub_7739_3.svg gave hash 1273794203U not the expected 1037942338U 180: file testGithub_7739_4.svg gave hash 1294147499U not the expected 3549083171U 180: file testGithub_7739_5.svg gave hash 3688100005U not the expected 1114216032U 180: file testAtomAbbreviationsClash.svg gave hash 222225321U not the expected 1847939197U 180: file testBlackAtomsUnderHighlight.svg gave hash 4047500871U not the expected 3916069581U 180: file testSmallReactionCanvas.svg gave hash 3709512115U not the expected 2238356155U 180: file testReactionProductSmoothCorners.svg gave hash 388051151U not the expected 882352670U 180: file testOptionalAtomListBrackets_1.svg gave hash 2652009151U not the expected 4239908626U 180: file testOptionalAtomListBrackets_2.svg gave hash 2232605750U not the expected 3881772214U 180: file testOptionalAtomListBrackets_3.svg gave hash 1919645786U not the expected 2945415850U 180: file testComponentPadding_1.svg gave hash 86889591U not the expected 2488754565U 180: file testComponentPadding_2.svg gave hash 3183164058U not the expected 2544322406U 180: file testAtomAndBondLabels_1.svg gave hash 2523710460U not the expected 288825710U 183: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: test32() 183: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds 183: Time elapsed 0.049 seconds 183: 183: test190() 183: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds 183: Time elapsed 0.007 seconds 183: 183: test3() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 183: Time elapsed 0.011 seconds 183: 183: testSimpleFast() 183: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds 183: Time elapsed 0.084 seconds 183: 183: testSimple() 183: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.073 seconds 183: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.091 seconds 183: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.087 seconds 183: 183: testSegFault() 183: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.008 seconds 183: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.010 seconds 183: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.010 seconds 183: 183: testThreshold() 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: Time elapsed 0.000 seconds 183: 183: testRing1() 183: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 183: Time elapsed 0.249 seconds 183: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 183: Time elapsed 0.257 seconds 183: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds 183: Time elapsed 0.292 seconds 183: 183: testAtomCompareIsotopes() 183: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testJnk1LigandsDistance() 183: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds 180: file testAtomAndBondLabels_2.svg gave hash 953169392U not the expected 3501435082U 183: Time elapsed 0.007 seconds 183: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds 180: file testAtomAndBondLabels_3.svg gave hash 621076868U not the expected 3056536314U 180: file testAtomAndBondLabels_4.svg gave hash 2597310629U not the expected 229616498U 180: file testStandardColoursHighlightedAtoms_1.svg gave hash 450661917U not the expected 4265528904U 180: file testStandardColoursHighlightedAtoms_2.svg gave hash 1628856606U not the expected 2285000572U 180: file testArrowheads.svg gave hash 177824424U not the expected 3318006834U 183: Time elapsed 0.001 seconds 183: 183: test18() 183: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1 183: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds 183: Time elapsed 0.006 seconds 183: 183: test504() 183: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1 183: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds 183: Time elapsed 0.067 seconds 183: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 183: Time elapsed 0.001 seconds 183: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds 183: Time elapsed 0.019 seconds 183: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds 183: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0006 seconds. bond[0]=6 183: STATISTICS: 183: Total Growing Steps = 1, MCS found on 1 step, for 0.0006 seconds 183: Initial Seeds = 1, Mismatched 0 183: Inspected Seeds = 2 183: Rejected by BestSize = 0 183: IndividualBondExcluded = 0 183: MatchCheck Seeds = 2 183: MatchCalls = 2 183: MatchFound = 1 183: fastMatchCalls = 1 183: fastMatchFound = 0 183: slowMatchCalls = 2 183: slowMatchFound = 1 183: DupCacheFound = 0 0 matched, 0 mismatched 183: HashCache size = 1 keys 183: HashCache size = 1 entries 183: FindHashInCache = 2 183: HashFoundInCache= 0 183: ExactMatchCalls = 0 183: ExactMatchFound = 0 183: Time elapsed 0.001 seconds 183: query=OCCl SubstructMatch(useChirality=false) res =1 size=3 183: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3 183: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CCC useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CCC useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CCC(F)Cl query = CC useChirality = 0 183: res sub = 1 size=2 183: MCS: [#6]-[#6] 2 atoms, 1 bonds 183: test target = CCC(F)Cl query = CC useChirality = 1 183: res sub = 1 size=2 183: MCS: [#6]-[#6] 2 atoms, 1 bonds 183: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 183: res sub = 0 size=0 183: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = OC(F)CCl query = OC(F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = OC(F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#9] 1 atoms, 0 bonds 183: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#9] 1 atoms, 0 bonds 183: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: 183: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 183: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: done 180: =============================================================================== 180: All tests passed (6989 assertions in 133 test cases) 180: 176/272 Test #180: moldraw2DTestCatch ..................... Passed 3.28 sec test 184 Start 184: testFMCSCatch 184: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/testFMCSCatch 184: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS 184: Test timeout computed to be: 7200 184: Randomness seeded to: 2883925678 184: Query C1CCCC1 5(5) atoms, 5(5) bonds 184: 1 Seeds:6 MCS 4 atoms, 3 bonds for 0.0002 seconds. bond[0]=0 184: 2 Seeds:8 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 184: 3 Seeds:7 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 4 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 7 Seeds:7 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 8 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 10 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 11 Seeds:5 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 14 Seeds:5 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=1 184: 15 Seeds:4 MCS 5 atoms, 4 bonds for 0.0004 seconds. bond[0]=1 184: Target 1 MISMATCHED C1CCCCC1 184: STATISTICS: 184: Total Growing Steps = 18, MCS found on 15 step, for 0.0004 seconds 184: Initial Seeds = 5, Mismatched 0 184: Inspected Seeds = 22 184: Rejected by BestSize = 3 184: IndividualBondExcluded = 0 184: MatchCheck Seeds = 22 184: MatchCalls = 5 184: MatchFound = 4 184: fastMatchCalls = 4 184: fastMatchFound = 3 184: slowMatchCalls = 2 184: slowMatchFound = 1 184: DupCacheFound = 4 0 matched, 4 mismatched 184: HashCache size = 4 keys 184: HashCache size = 4 entries 184: FindHashInCache = 18 184: HashFoundInCache= 13 184: ExactMatchCalls = 13 184: ExactMatchFound = 13 184: =============================================================================== 184: All tests passed (5 assertions in 1 test case) 184: 177/272 Test #184: testFMCSCatch .......................... Passed 0.02 sec test 185 Start 185: pyFMCS 185: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Wrap/testFMCS.py" 185: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Wrap 185: Test timeout computed to be: 7200 158: [14:23:36] done 158: building molecules 158: generating reference data 183: [14:23:36] The provided InitialSeed is not an MCS and will be ignored 158: validating reference data 162: =============================================================================== 162: All tests passed (3120 assertions in 11 test cases) 162: 178/272 Test #162: distGeomHelpersCatch-shard-2/3 ......... Passed 57.18 sec test 186 Start 186: FMCStest 186: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Test/FMCStest 186: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/FMCS/Test 186: Test timeout computed to be: 7200 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: no_108_57887.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_16827.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 186: 186: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: t() chembl_II_sets/Target_no_121_37434.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: xt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_34734.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_12377.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 186: 186: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 186: ERROR: RDKit could not load input file 179/272 Test #186: FMCStest ............................... Passed 0.02 sec test 187 Start 187: molHashCatchTest 187: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash/molHashCatchTest 187: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash 187: Test timeout computed to be: 7200 187: Randomness seeded to: 2444510759 187: =============================================================================== 187: All tests passed (451 assertions in 20 test cases) 187: 180/272 Test #187: molHashCatchTest ....................... Passed 0.09 sec test 188 Start 188: pyMolHash 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/Wrap/testMolHash.py" 188: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolHash/Wrap 188: Test timeout computed to be: 7200 188: .... 188: ---------------------------------------------------------------------- 188: Ran 4 tests in 0.011s 188: 188: OK 181/272 Test #188: pyMolHash .............................. Passed 0.20 sec test 189 Start 189: testMMPA 189: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MMPA/testMMPA 189: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MMPA 189: Test timeout computed to be: 7200 189: 189: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 189: Time elapsed 0.004744 seconds 189: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 14: NOREF. Reference data NOT LISTED in test case. 189: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 189: ----------------------------------- 189: Time elapsed 0.004020 seconds 189: 189: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 189: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 189: 1: PASSED. matchedRefRes = 4 189: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2] 189: 2: PASSED. matchedRefRes = 1 189: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2] 189: 3: PASSED. matchedRefRes = 6 189: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2] 189: 4: PASSED. matchedRefRes = 13 189: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2] 189: 5: PASSED. matchedRefRes = 12 189: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 189: 6: PASSED. matchedRefRes = 10 189: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 10: PASSED. matchedRefRes = 3 189: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 12: PASSED. matchedRefRes = 8 189: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 13: PASSED. matchedRefRes = 9 189: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 14: PASSED. matchedRefRes = 11 189: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 15: PASSED. matchedRefRes = 2 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 189: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: ----------------------------------- 189: 189: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 189: Time elapsed 0.004027 seconds 189: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 189: 1: PASSED. matchedRefRes = 4 189: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2] 189: 2: PASSED. matchedRefRes = 1 189: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2] 189: 3: PASSED. matchedRefRes = 6 189: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2] 189: 4: PASSED. matchedRefRes = 13 189: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2] 189: 5: PASSED. matchedRefRes = 12 189: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 189: 6: PASSED. matchedRefRes = 10 189: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 10: PASSED. matchedRefRes = 3 189: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 12: PASSED. matchedRefRes = 8 189: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 13: PASSED. matchedRefRes = 9 189: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 14: PASSED. matchedRefRes = 11 189: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 15: PASSED. matchedRefRes = 2 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 189: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: ----------------------------------- 189: 189: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE 189: Time elapsed 0.001072 seconds 189: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1] 189: 1: PASSED. matchedRefRes = 2 189: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1] 189: 2: PASSED. matchedRefRes = 3 189: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2] 189: 4: PASSED. matchedRefRes = 4 189: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1] 189: 5: PASSED. matchedRefRes = 5 189: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1] 189: 7: PASSED. matchedRefRes = 7 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3] 189: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2] 189: ----------------------------------- 189: 189: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 189: Time elapsed 0.004538 seconds 189: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 14: NOREF. Reference data NOT LISTED in test case. 189: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 189: ----------------------------------- 189: 189: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2 189: Time elapsed 0.004961 seconds 189: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1 189: 14: PASSED. matchedRefRes = 1 189: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- ALL PASSED --- 189: ----------------------------------- 189: 5 TEST CASES FAILED 182/272 Test #189: testMMPA ............................... Passed 0.12 sec test 190 Start 190: pyMMPA 190: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/Wrap/testMMPA.py" 190: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MMPA/Wrap 190: Test timeout computed to be: 7200 185: ........................................[14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: .[14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: .[14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: .[14:23:39] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:40] The provided InitialSeed is not an MCS and will be ignored 185: [14:23:40] The provided InitialSeed is not an MCS and will be ignored 185: ................. 185: ---------------------------------------------------------------------- 185: Ran 60 tests in 3.889s 185: 185: OK 183/272 Test #185: pyFMCS ................................. Passed 4.13 sec test 191 Start 191: testRascalMCES 191: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES/testRascalMCES 191: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES 191: Test timeout computed to be: 7200 158: processing 158: launch :0 158: launch :1 158: launch :2 158: launch :3 190: ......... 190: ---------------------------------------------------------------------- 190: Ran 9 tests in 1.272s 190: 190: OK 184/272 Test #190: pyMMPA ................................. Passed 1.47 sec test 192 Start 192: testRascalCluster 192: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES/testRascalCluster 192: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES 192: Test timeout computed to be: 7200 192: Randomness seeded to: 1593046508 192: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/data/chembl_1907596.smi 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: TOTAL Time elapsed 11.02 seconds 185/272 Test #183: testFMCS ............................... Passed 11.05 sec test 193 Start 193: pyRascalMCES 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py" 193: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RascalMCES/Wrap 193: Test timeout computed to be: 7200 193: ..........[14:23:45] Too many matching bond pairs (1032) so can't continue. 193: .... 193: ---------------------------------------------------------------------- 193: Ran 14 tests in 0.998s 193: 193: OK 186/272 Test #193: pyRascalMCES ........................... Passed 1.24 sec test 194 Start 194: testSynthonSpaceSubstructureSearch 194: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch 194: Test timeout computed to be: 7200 194: Randomness seeded to: 3108381206 194: [14:23:48] Writing the enumerated file may take quite some time and result in a large file. 177: reference time: 24173ms 177: parallel loop 194: [14:23:50] Building the fingerprints of 7 synthons may take some time. 194: [14:23:50] Building the fingerprints may take some time. 194: [14:23:50] Building the fingerprints of 7 synthons may take some time. 194: [14:23:50] Building the fingerprints may take some time. 191: Randomness seeded to: 555311334 191: [14:23:50] Timed out after 2 seconds. 191: =============================================================================== 191: All tests passed (1594 assertions in 36 test cases) 191: 187/272 Test #191: testRascalMCES ......................... Passed 10.39 sec test 195 Start 195: testSynthonSpaceFingerprintSearch 195: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceFingerprintSearch 195: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch 195: Test timeout computed to be: 7200 195: Randomness seeded to: 2017947015 195: [14:23:50] Building the fingerprints of 7 synthons may take some time. 195: [14:23:50] Building the fingerprints may take some time. 195: [14:23:50] Building the fingerprints of 6 synthons may take some time. 195: [14:23:50] Building the fingerprints may take some time. 195: [14:23:51] Building the fingerprints of 7 synthons may take some time. 195: [14:23:51] Building the fingerprints may take some time. 177: parallel time: 6329ms 177: =============================================================================== 177: All tests passed (798 assertions in 20 test cases) 177: 188/272 Test #177: testGaussianShape ...................... Passed 31.21 sec test 196 Start 196: testSynthonSpaceRascalSearch 196: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceRascalSearch 196: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch 196: Test timeout computed to be: 7200 195: [14:23:55] Building the fingerprints of 3 synthons may take some time. 195: [14:23:55] Building the fingerprints may take some time. 194: [14:23:58] 194: 194: **** 194: Invariant Violation 194: molzip: bond info not properly setup for bgn atom with label:1 194: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 194: Failed Expression: bond.a 194: ---------- 194: Stacktrace: 194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 194: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 194: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 194: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 194: 5# RDKit::SynthonSpaceSearch::SynthonSet::buildMolecule(std::vector > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 194: 6# RDKit::SynthonSpaceSearch::SynthonSet::buildSampleMolecules(std::vector >, std::allocator > > >, std::allocator >, std::allocator > > > > > const&, unsigned long) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 194: 7# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 194: 8# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 194: 9# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 194: 10# 0x00000000000693D0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 11# 0x00000000000CF48C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 12# 0x00000000000D0B40 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 13# 0x00000000000D0F98 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 14# 0x00000000000A2864 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 15# 0x00000000000A2DCC in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 16# 0x0000000000064428 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 194: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 194: 19# 0x00000000000644B0 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: ---------- 194: **** 194: 194: [14:23:58] Explicit valence for atom # 4 C, 5, is greater than permitted 196: Randomness seeded to: 4235197068 196: =============================================================================== 196: All tests passed (22 assertions in 2 test cases) 196: 189/272 Test #196: testSynthonSpaceRascalSearch ........... Passed 2.91 sec test 197 Start 197: testSynthonSpaceShapeSearch 197: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceShapeSearch 197: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch 197: Test timeout computed to be: 7200 197: Randomness seeded to: 3545617772 197: [14:24:05] Building the conformers of 7 synthons may take some time. 197: [14:24:11] The query molecule needs a 3D conformer. 197: [14:24:11] Building the conformers of 2 synthons may take some time. 163: =============================================================================== 163: All tests passed (5320 assertions in 10 test cases) 163: 190/272 Test #163: distGeomHelpersCatch-shard-3/3 ......... Passed 89.58 sec test 198 Start 198: pySynthonSpaceSearch 198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap/testSynthonSpaceSearch.py" 198: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SynthonSpaceSearch/Wrap 198: Test timeout computed to be: 7200 197: [14:24:12] UFFTYPER: Unrecognized atom type: Pd6+2 (1) 195: =============================================================================== 195: All tests passed (81 assertions in 6 test cases) 195: 191/272 Test #195: testSynthonSpaceFingerprintSearch ...... Passed 27.32 sec test 199 Start 199: testEnumerateStereoisomers 199: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/testEnumerateStereoisomers 199: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers 199: Test timeout computed to be: 7200 197: [14:24:19] Building the conformers of 6 synthons may take some time. 197: [14:24:20] Building the conformers of 3 synthons may take some time. 198: ..[14:24:21] Writing the enumerated file may take quite some time and result in a large file. 158: [14:24:24] done 158: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 158: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 158: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 158: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 158: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 158: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 158: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 158: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 158: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 158: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 158: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 158: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 192: =============================================================================== 192: All tests passed (93 assertions in 5 test cases) 192: 192/272 Test #192: testRascalCluster ...................... Passed 51.79 sec test 200 Start 200: pyNewEnumerateStereoisomers 200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Wrap/testEnumerateStereoisomers.py" 200: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/EnumerateStereoisomers/Wrap 200: Test timeout computed to be: 7200 158: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 200: ... 200: ---------------------------------------------------------------------- 200: Ran 3 tests in 0.522s 200: 200: OK 193/272 Test #200: pyNewEnumerateStereoisomers ............ Passed 0.74 sec test 201 Start 201: testCIPLabeler 201: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler 201: Test timeout computed to be: 7200 201: Randomness seeded to: 1036619098 201: [14:24:33] 201: 201: **** 201: Pre-condition Violation 201: Atoms bitset size does not match number of atoms 201: Violation occurred on line 350 in file ./Code/GraphMol/CIPLabeler/CIPLabeler.cpp 201: Failed Expression: atoms.size() == mol.getNumAtoms() 201: ---------- 201: Stacktrace: 201: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 201: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 201: 2# 0x0000000000050008 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 3# 0x00000000000356B4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 4# 0x000000000009C76C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 5# 0x000000000009DE20 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 6# 0x000000000009E278 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 7# 0x000000000006F9E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 8# 0x000000000006FF4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 9# 0x0000000000024088 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 12# 0x0000000000024110 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: ---------- 201: **** 201: 201: [14:24:33] 201: 201: **** 201: Pre-condition Violation 201: Bonds bitset size does not match number of bonds 201: Violation occurred on line 352 in file ./Code/GraphMol/CIPLabeler/CIPLabeler.cpp 201: Failed Expression: bonds.size() == mol.getNumBonds() 201: ---------- 201: Stacktrace: 201: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 201: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 201: 2# 0x0000000000050170 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 3# 0x00000000000355F8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 4# 0x000000000009C76C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 5# 0x000000000009DE20 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 6# 0x000000000009E278 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 7# 0x000000000006F9E4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 8# 0x000000000006FF4C in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 9# 0x0000000000024088 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 12# 0x0000000000024110 in /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/testCIPLabeler 201: ---------- 201: **** 201: 158: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] non kekulizable aromatic bond being treated as bond order 1 201: [14:24:33] Interrupted, cancelling CIP label calculation 201: [14:24:33] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 201: [14:24:33] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 201: =============================================================================== 201: All tests passed (6729 assertions in 29 test cases) 201: 194/272 Test #201: testCIPLabeler ......................... Passed 0.50 sec test 202 Start 202: pyCIPLabelsWrapTest 202: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py" 202: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/Wrap 202: Test timeout computed to be: 7200 202: .... 202: ---------------------------------------------------------------------- 202: Ran 4 tests in 0.014s 202: 202: OK 195/272 Test #202: pyCIPLabelsWrapTest .................... Passed 0.22 sec test 203 Start 203: pyCIPLabelsValidation 203: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py" 203: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/CIPLabeler/Wrap 203: Test timeout computed to be: 7200 194: =============================================================================== 194: All tests passed (193 assertions in 26 test cases) 194: 196/272 Test #194: testSynthonSpaceSubstructureSearch ..... Passed 47.09 sec test 204 Start 204: deprotectTest 204: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Deprotect/deprotectTest 204: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Deprotect 204: Test timeout computed to be: 7200 204: Randomness seeded to: 3764842682 204: =============================================================================== 204: All tests passed (111 assertions in 3 test cases) 204: 197/272 Test #204: deprotectTest .......................... Passed 0.07 sec test 205 Start 205: pyDeprotect 205: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Deprotect/Wrap/rough_test.py" 205: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Deprotect/Wrap 205: Test timeout computed to be: 7200 205: ..... 205: ---------------------------------------------------------------------- 205: Ran 5 tests in 0.034s 205: 205: OK 205: Testing tert-butyldimethylsilyl 205: Testing methoxytrityl 205: Testing tetrahydropyranyl 205: Testing methoxymethyl_ether 205: Testing beta-Methoxyethoxymethyl_ether 205: Testing benzyl 205: Testing trimethylsilyl 205: Testing benzoyl 205: Testing pivaloyl 205: Testing triisopropylsilyl 205: Testing acetyl 205: Testing para-methoxybenzyl_ether 205: Testing triphenylmethyl 205: Testing phthaloyl 205: Testing trimethylsilylethoxymethyl 205: Testing para-methoxyphenyl 205: Testing tosyl 205: Testing tert-butyloxycarbonyl 205: Testing trifluoroacetyl 205: Testing benzoyl 205: Testing 9-fluorenylmethyloxycarbonyl 205: Testing benzylamine 205: Testing acetamide 205: Testing carbobenzyloxy 205: Testing Acetal/Ketal 205: Testing tert-butyldimethylsilyl 205: Testing methoxytrityl 205: Testing tetrahydropyranyl 205: Testing methoxymethyl_ether 205: Testing beta-Methoxyethoxymethyl_ether 205: Testing benzyl 205: Testing trimethylsilyl 205: Testing benzoyl 205: Testing pivaloyl 205: Testing triisopropylsilyl 205: Testing acetyl 205: Testing para-methoxybenzyl_ether 205: Testing triphenylmethyl 205: Testing phthaloyl 205: Testing trimethylsilylethoxymethyl 205: Testing para-methoxyphenyl 205: Testing tosyl 205: Testing tert-butyloxycarbonyl 205: Testing trifluoroacetyl 205: Testing benzoyl 205: Testing 9-fluorenylmethyloxycarbonyl 205: Testing benzylamine 205: Testing acetamide 205: Testing carbobenzyloxy 205: Testing Acetal/Ketal 198/272 Test #205: pyDeprotect ............................ Passed 0.25 sec test 206 Start 206: testReducedGraphs 206: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ReducedGraphs/testReducedGraphs 206: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ReducedGraphs 206: Test timeout computed to be: 7200 206: Size: 315 [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ] 206: 199/272 Test #206: testReducedGraphs ...................... Passed 0.03 sec test 207 Start 207: pyReducedGraphs 207: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py" 207: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ReducedGraphs/Wrap 207: Test timeout computed to be: 7200 158: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 207: ..... 207: ---------------------------------------------------------------------- 207: Ran 5 tests in 0.014s 207: 207: OK 200/272 Test #207: pyReducedGraphs ........................ Passed 0.33 sec test 208 Start 208: trajectoryTest 208: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Trajectory/trajectoryTest 208: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Trajectory 208: Test timeout computed to be: 7200 201/272 Test #208: trajectoryTest ......................... Passed 0.37 sec test 209 Start 209: substructLibraryTest 209: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/substructLibraryTest 209: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary 209: Test timeout computed to be: 7200 158: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 158: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 158: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 197: =============================================================================== 197: All tests passed (108 assertions in 12 test cases) 197: 202/272 Test #197: testSynthonSpaceShapeSearch ............ Passed 39.57 sec test 210 Start 210: substructLibraryCatchTest 210: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest 210: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary 210: Test timeout computed to be: 7200 210: Randomness seeded to: 3776471118 210: =============================================================================== 210: All tests passed (171 assertions in 5 test cases) 210: 203/272 Test #210: substructLibraryCatchTest .............. Passed 0.16 sec test 211 Start 211: pySubstructLibrary 211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py" 211: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SubstructLibrary/Wrap 211: Test timeout computed to be: 7200 158: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 203: VS001: PASSED 203: VS002: PASSED 203: VS003: PASSED 203: VS004: PASSED 203: VS005: PASSED 203: VS006: PASSED 203: VS007: PASSED 203: VS008: PASSED 203: VS009: PASSED 203: VS010: PASSED 203: VS011: PASSED 203: VS012: PASSED 203: VS013: PASSED 203: VS014: PASSED 203: VS015: PASSED 203: VS016: PASSED 203: VS017: PASSED 203: VS018: PASSED 203: VS019: PASSED 203: VS020: PASSED 203: VS021: PASSED 203: VS022: PASSED 203: VS023: PASSED 203: VS024: PASSED 203: VS025: PASSED 203: VS026: PASSED 203: VS027: PASSED 203: VS028: PASSED 203: VS029: PASSED 203: VS030: PASSED 203: VS031: PASSED 203: VS032: PASSED 203: VS033: PASSED 203: VS034: PASSED 203: VS035: PASSED 203: VS036: PASSED 203: VS037: PASSED 203: VS038: PASSED 203: VS039: PASSED 203: VS040: PASSED 203: VS041: PASSED 203: VS042: PASSED 203: VS043: PASSED 203: VS044: PASSED 203: VS045: PASSED 203: VS046: PASSED 203: VS047: PASSED 203: VS048: PASSED 203: VS049: PASSED 203: VS050: PASSED 203: VS051: PASSED 203: VS052: PASSED 203: VS053: PASSED 203: VS054: PASSED 203: VS055: PASSED 203: VS056: PASSED 203: VS057: PASSED 203: VS058: PASSED 203: VS059: PASSED 203: VS060: PASSED 203: VS061: PASSED 203: VS062: PASSED 203: VS063: PASSED 203: VS064: PASSED 203: VS065: PASSED 203: VS066: PASSED 203: VS067: PASSED 203: VS068: PASSED 203: VS069: PASSED 203: VS070: PASSED 203: VS071: PASSED 203: VS072: PASSED 203: VS073: PASSED 203: VS074: PASSED 203: VS075: PASSED 203: VS076: PASSED 203: VS077: PASSED 203: VS078: PASSED 203: VS079: PASSED 203: VS080: PASSED 203: VS081: PASSED 203: VS082: PASSED 203: VS083: PASSED 203: VS084: 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PASSED 203: VS295: PASSED 203: VS296: PASSED 203: VS297: PASSED 203: VS298: PASSED 203: VS299: PASSED 203: VS300: PASSED 203: Check finished: 0 molecules failed. 203: Failed: 204/272 Test #203: pyCIPLabelsValidation .................. Passed 5.06 sec test 212 Start 212: testRGroupDecomp 212: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition/testRGroupDecomp 212: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition 212: Test timeout computed to be: 7200 209: Randomness seeded to: 2188636782 209: [14:24:39] [14:24:39] SMILES[14:24:39] SMILES[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1 Parse Error: syntax error Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] while parsing: :: 209: 209: [14:24:39] [14:24:39] dsafsdfSMILESdsafsdf Parse Error: 209: [14:24:39] [14:24:39] syntax error[14:24:39] [14:24:39] SMILES 209: Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] dsafsdf[14:24:39] [14:24:39] ^SMILES 209: Parse Error: syntax error[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf[14:24:39] SMILES Parse Error: syntax error while parsing: while parsing: dsafsdf 209: 209: [14:24:39] SMILESSMILES Parse Error: check for mistakes around position 1 while parsing: :[14:24:39] 209: SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES[14:24:39] [14:24:39] dsafsdf 209: SMILESSMILES[14:24:39] SMILESdsafsdf Parse Error: check for mistakes around position Parse Error: check for mistakes around position [14:24:39] [14:24:39] Parse Error: check for mistakes around position SMILESSMILESdsafsdf Parse Error: Parse Error: 209: syntax error[14:24:39] SMILES while parsing: Parse Error: check for mistakes around position 1[14:24:39] SMILES: Parse Error: dsafsdf[14:24:39] SMILESSMILES 209: Parse Error: 209: 209: [14:24:39] [14:24:39] Parse Error: SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[14:24:39] 209: Parse Error: syntax errorSMILES Parse Error: check for mistakes around position 1 Parse Error: check for mistakes around position SMILES1:[14:24:39] [14:24:39] while parsing: [14:24:39] syntax error[14:24:39] 209: [14:24:39] dsafsdf 209: [14:24:39] Parse Error: check for mistakes around position syntax errorsyntax error while parsing: syntax errordsafsdf1 while parsing: ^ 209: for input: '1: 209: ^dsafsdf 209: [14:24:39] 1SMILES 209: Parse Error: SMILES Parse Error: SMILES[14:24:39] dsafsdfdsafsdfSMILES' 209: [14:24:39] ^: 209: 1 209: [14:24:39] ::[14:24:39] Parse Error: while parsing: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: 209: while parsing: dsafsdf[14:24:39] Parse Error: check for mistakes around position 209: [14:24:39] SMILESdsafsdf[14:24:39] Parse Error: check for mistakes around position syntax error[14:24:39] SMILESsyntax error while parsing: dsafsdf 209: 209: Parse Error: check for mistakes around position 1:SMILES[14:24:39] 209: [14:24:39] :SMILESsyntax error[14:24:39] 1dsafsdf: 209: SMILES Parse Error: Parse Error: check for mistakes around position while parsing: dsafsdf 209: SMILES Parse Error: Parse Error: [14:24:39] Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] [14:24:39] SMILES1[14:24:39] Failed parsing SMILES 'dsafsdf' for input: '1SMILES[14:24:39] while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdfSMILES 209: [14:24:39] [14:24:39] SMILES 209: Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: Parse Error: SMILESFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error 209: while parsing: [14:24:39] [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] dsafsdf Parse Error: check for mistakes around position [14:24:39] 209: Parse Error: Parse Error: check for mistakes around position 1 209: dsafsdf Parse Error: SMILES:: 209: SMILES Parse Error: SMILES Parse Error: 1 for input: 'dsafsdf[14:24:39] syntax error while parsing: dsafsdf 209: dsafsdf 209: [14:24:39] [14:24:39] dsafsdf:[14:24:39] SMILES Parse Error: check for mistakes around position 1:[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] dsafsdf 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] [14:24:39] 209: Parse Error: [14:24:39] SMILES[14:24:39] Parse Error: check for mistakes around position ^ 209: [14:24:39] SMILES[14:24:39] [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: '[14:24:39] 209: Failed parsing SMILES 'dsafsdf'^ for input: 'dsafsdfsyntax error[14:24:39] SMILES 209: 209: SMILES Parse Error: SMILES[14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf Parse Error: check for mistakes around position 209: 1 209: ^ 209: dsafsdf[14:24:39] while parsing: ^'dsafsdfdsafsdf 209: 209: Parse Error: 209: [14:24:39] [14:24:39] [14:24:39] ^^[14:24:39] 209: [14:24:39] Failed parsing SMILES 'dsafsdf'SMILES Parse Error: check for mistakes around position for input: 'dsafsdf' 209: SMILES1 Parse Error: check for mistakes around position 1 209: :SMILES[14:24:39] 209: SMILESsyntax error[14:24:39] Parse Error: check for mistakes around position 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] 1SMILES 209: dsafsdf'syntax error[14:24:39] [14:24:39] SMILES: Parse Error: check for mistakes around position [14:24:39] [14:24:39] Parse Error: 209: SMILESSMILES Parse Error: 209: [14:24:39] dsafsdfSMILES11 Parse Error: 209: [14:24:39] : while parsing: dsafsdf 209: SMILESSMILES while parsing: Parse Error: check for mistakes around position [14:24:39] [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'dsafsdf 209: 209: [14:24:39] [14:24:39] :^SMILES Parse Error: 209: ' Parse Error: [14:24:39] syntax errordsafsdf[14:24:39] 209: SMILES[14:24:39] [14:24:39] dsafsdf[14:24:39] 209: SMILESsyntax error while parsing: dsafsdf Parse Error: 209: syntax errorFailed parsing SMILES 'dsafsdf'[14:24:39] 209: ^ for input: ' Parse Error: Parse Error: syntax errordsafsdfdsafsdf': Parse Error: Parse Error: 209: 209: while parsing: 1[14:24:39] Failed parsing SMILES 'dsafsdf'dsafsdf:syntax error[14:24:39] 209: ^ for input: ' 209: 209: [14:24:39] [14:24:39] dsafsdf 209: 209: 209: syntax error while parsing: [14:24:39] : while parsing: SMILES[14:24:39] for input: ' 209: dsafsdfdsafsdfdsafsdf 209: 209: [14:24:39] 'SMILES for input: '[14:24:39] dsafsdf 209: 209: dsafsdfdsafsdfdsafsdf[14:24:39] : 209: Parse Error: check for mistakes around position 209: [14:24:39] Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] [14:24:39] 209: dsafsdfSMILES Parse Error: check for mistakes around position SMILES[14:24:39] Parse Error: while parsing: 1' 209: 209: dsafsdf Parse Error: check for mistakes around position Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] 209: 1^^^ for input: '^ 209: dsafsdf^ 209: 209: Parse Error: 209: [14:24:39] SMILESsyntax errorsyntax error while parsing: dsafsdf 209: '[14:24:39] 1' while parsing: [14:24:39] while parsing: dsafsdf[14:24:39] ^[14:24:39] [14:24:39] 209: for input: '[14:24:39] [14:24:39] [14:24:39] [14:24:39] dsafsdf:SMILESSMILESSMILESSMILES:dsafsdfSMILES 209: 209: [14:24:39] [14:24:39] ^ Parse Error: [14:24:39] SMILESFailed parsing SMILES 'dsafsdf' for input: 'dsafsdfSMILES Parse Error: [14:24:39] [14:24:39] 209: 209: 209: SMILESdsafsdf[14:24:39] Parse Error: SMILESSMILES Parse Error: check for mistakes around position 1' 209: Failed parsing SMILES 'dsafsdf' Parse Error: check for mistakes around position Parse Error: [14:24:39] 1SMILES[14:24:39] 209: [14:24:39] : 209: [14:24:39] dsafsdf 209: SMILESSMILES Parse Error: :: for input: 'Failed parsing SMILES 'dsafsdf' Parse Error: Parse Error: 209: 209: ^^ for input: ' 209: dsafsdf[14:24:39] 209: 209: syntax error 209: ' 209: Parse Error: check for mistakes around position Parse Error: 209: dsafsdf while parsing: [14:24:39] SMILESsyntax error Parse Error: check for mistakes around position Parse Error: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1SMILES[14:24:39] while parsing: 209: 1Failed parsing SMILES 'dsafsdf'[14:24:39] : 209: Parse Error: Parse Error: check for mistakes around position ^ 209: Failed parsing SMILES 'dsafsdf' 209: Failed parsing SMILES 'dsafsdf'1dsafsdf for input: '[14:24:39] [14:24:39] : 209: [14:24:39] dsafsdfdsafsdf 209: [14:24:39] for input: '' for input: '^dsafsdf Parse Error: [14:24:39] 209: 209: [14:24:39] 1SMILES Parse Error: check for mistakes around position Failed parsing SMILES 'dsafsdf'dsafsdfdsafsdfSMILES: 209: 1 for input: ' Parse Error: check for mistakes around position [14:24:39] [14:24:39] dsafsdf 209: [14:24:39] ^ 209: SMILES: 209: dsafsdf[14:24:39] Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[14:24:39] ' 209: [14:24:39] 209: Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] SMILES' 209: 209: Parse Error: Failed parsing SMILES 'dsafsdf'[14:24:39] Parse Error: for input: 'dsafsdfFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: dsafsdf'dsafsdf 209: Failed parsing SMILES 'dsafsdf'' 209: 1 209: :[14:24:39] : for input: ' 209: dsafsdf^[14:24:39] for input: ' 209: 209: ^[14:24:39] dsafsdf[14:24:39] 209: [14:24:39] SMILESdsafsdf'SMILES Parse Error: syntax error while parsing: dsafsdf 209: ^'SMILES 209: [14:24:39] Parse Error: [14:24:39] dsafsdf 209: syntax error while parsing: dsafsdf[14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' 209: Parse Error: 'dsafsdf' 209: SMILES[14:24:39] [14:24:39] SMILES[14:24:39] [14:24:39] 209: Parse Error: SMILES 209: Failed parsing SMILES 'dsafsdf' 209: ' 209: SMILES[14:24:39] Parse Error: check for mistakes around position [14:24:39] dsafsdf for input: 'dsafsdfSMILES 209: 209: ' 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] ^[14:24:39] syntax error 209: SMILES while parsing: 209: dsafsdfdsafsdf' 209: dsafsdf^ 209: [14:24:39] 209: 1[14:24:39] [14:24:39] SMILES Parse Error: [14:24:39] Parse Error: check for mistakes around position Parse Error: check for mistakes around position SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' Parse Error: SMILES 209: Failed parsing SMILES 'dsafsdf'^ 209: for input: 'dsafsdf 209: Failed parsing SMILES 'dsafsdf'' Parse Error: Parse Error: syntax errorSMILES[14:24:39] 1syntax error Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf:[14:24:39] [14:24:39] dsafsdfdsafsdf[14:24:39] [14:24:39] 209: [14:24:39] while parsing: SMILES1 Parse Error: check for mistakes around position 1:[14:24:39] 209: while parsing: [14:24:39] dsafsdf^SMILESSMILES^ 209: 'SMILES:[14:24:39] 209: for input: ' Parse Error: dsafsdf 209: [14:24:39] 209: 209: 209: Parse Error: SMILESsyntax error[14:24:39] Parse Error: [14:24:39] SMILES Parse Error: check for mistakes around position syntax error[14:24:39] 1:[14:24:39] dsafsdf while parsing: ' 209: 209: Parse Error: check for mistakes around position 209: :SMILESdsafsdf 209: ^' 209: dsafsdf[14:24:39] 209: [14:24:39] 209: dsafsdfsyntax error1 while parsing: 209: [14:24:39] 209: while parsing: SMILES[14:24:39] SMILESdsafsdfSMILES 209: :dsafsdf[14:24:39] Parse Error: SMILES Parse Error: dsafsdfdsafsdf 209: [14:24:39] [14:24:39] Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] Parse Error: SMILES 209: [14:24:39] 209: 209: syntax error[14:24:39] Parse Error: ^ 209: Failed parsing SMILES 'dsafsdf' for input: ' Parse Error: 209: dsafsdf while parsing: [14:24:39] 'dsafsdf[14:24:39] Parse Error: check for mistakes around position [14:24:39] Failed parsing SMILES 'dsafsdf' for input: 'SMILES 209: 209: Parse Error: check for mistakes around position ^ Parse Error: dsafsdf1[14:24:39] :dsafsdf 209: ^[14:24:39] 1dsafsdfFailed parsing SMILES 'dsafsdf' 209: for input: ' 209: :dsafsdfFailed parsing SMILES 'dsafsdf'SMILES 209: [14:24:39] SMILES Parse Error: [14:24:39] for input: ' for input: ' Parse Error: dsafsdfsyntax error while parsing: dsafsdf 209: SMILES^ 209: '' Parse Error: check for mistakes around position dsafsdfSMILES[14:24:39] Parse Error: check for mistakes around position 1:1[14:24:39] 209: [14:24:39] 209: '[14:24:39] ^ 209: 209: 209: dsafsdf[14:24:39] 209: ':SMILESSMILES 209: Parse Error: check for mistakes around position [14:24:39] Parse Error: SMILESFailed parsing SMILES 'dsafsdf' Parse Error: 209: SMILESFailed parsing SMILES 'dsafsdf' for input: '[14:24:39] [14:24:39] 1 209: Parse Error: check for mistakes around position dsafsdf:SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: ^[14:24:39] for input: '1dsafsdf[14:24:39] [14:24:39] ': 209: 209: [14:24:39] 209: 209: 209: dsafsdfdsafsdf^ 209: 209: 209: SMILES[14:24:39] Failed parsing SMILES 'dsafsdf'[14:24:39] ^ for input: 'dsafsdf'' Parse Error: 209: [14:24:39] 209: 209: [14:24:39] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'SMILES[14:24:39] 209: dsafsdf[14:24:39] 209: Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: ^ 209: ' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] dsafsdf[14:24:39] [14:24:39] SMILES[14:24:39] Parse Error: 209: ^ 209: Failed parsing SMILES 'dsafsdf' for input: 'SMILESdsafsdf Parse Error: ' 209: Failed parsing SMILES 'dsafsdf' for input: 'SMILES[14:24:39] ^ 209: dsafsdf' 209: Parse Error: check for mistakes around position 1: 209: [14:24:39] SMILES[14:24:39] [14:24:39] dsafsdf 209: [14:24:39] ^ 209: SMILES Parse Error: dsafsdf Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: 209: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] ^ 209: ' 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: SMILES[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position [14:24:39] [14:24:39] SMILES Parse Error: syntax error[14:24:39] [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] [14:24:39] 1SMILES: 209: [14:24:39] dsafsdfSMILES[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES[14:24:39] SMILES Parse Error: check for mistakes around position [14:24:39] 1: 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf[14:24:39] 209: [14:24:39] SMILESSMILES Parse Error: 209: syntax error Parse Error: syntax error while parsing: Parse Error: while parsing: while parsing: dsafsdf[14:24:39] syntax errorSMILES[14:24:39] SMILES Parse Error: Parse Error: syntax error Parse Error: check for mistakes around position SMILESSMILES[14:24:39] dsafsdf[14:24:39] dsafsdf Parse Error: SMILES[14:24:39] Parse Error: check for mistakes around position syntax error while parsing: Parse Error: check for mistakes around position 1 209: dsafsdf while parsing: SMILESdsafsdf Parse Error: syntax errordsafsdf while parsing: 209: while parsing: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 209: 209: 1:[14:24:39] 209: ^[14:24:39] [14:24:39] SMILES Parse Error: Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] [14:24:39] SMILESdsafsdf 209: SMILESdsafsdf 209: [14:24:39] 209: [14:24:39] Parse Error: check for mistakes around position 209: 1 Parse Error: check for mistakes around position syntax error1 209: :[14:24:39] 1[14:24:39] : 209: ^[14:24:39] 209: :[14:24:39] SMILESSMILESdsafsdfdsafsdf 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' Parse Error: check for mistakes around position 209: SMILES while parsing: [14:24:39] ^dsafsdf[14:24:39] 209: 209: [14:24:39] dsafsdfSMILES'SMILES 209: : Parse Error: check for mistakes around position Parse Error: check for mistakes around position 1[14:24:39] 1: 209: [14:24:39] 1: 209: [14:24:39] dsafsdf 209: 1: 209: [14:24:39] : 209: SMILES[14:24:39] Parse Error: dsafsdfSMILES Parse Error: syntax error Parse Error: [14:24:39] [14:24:39] while parsing: [14:24:39] dsafsdf[14:24:39] Failed parsing SMILES 'dsafsdf' 209: SMILES[14:24:39] SMILES[14:24:39] Parse Error: check for mistakes around position syntax errorSMILESSMILES[14:24:39] SMILES Parse Error: check for mistakes around position Parse Error: syntax errordsafsdf1 209: while parsing: : while parsing: 209: 209: 209: dsafsdf[14:24:39] ^SMILES1 Parse Error: check for mistakes around position [14:24:39] dsafsdf for input: '[14:24:39] dsafsdf 209: Parse Error: dsafsdf 209: [14:24:39] SMILES Parse Error: [14:24:39] 209: Parse Error: [14:24:39] ^ 209: [14:24:39] SMILESSMILES1:[14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' 209: [14:24:39] dsafsdf 209: for input: '[14:24:39] dsafsdf'dsafsdfsyntax errordsafsdf 209: Parse Error: check for mistakes around position 209: [14:24:39] dsafsdf[14:24:39] dsafsdfSMILES Parse Error: check for mistakes around position Parse Error: [14:24:39] 1: 209: [14:24:39] dsafsdf[14:24:39] :[14:24:39] 209: [14:24:39] [14:24:39] [14:24:39] ^ 209: while parsing: 209: Parse Error: SMILES[14:24:39] Parse Error: check for mistakes around position '1^:[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdfdsafsdf[14:24:39] SMILES Parse Error: syntax error while parsing: ^[14:24:39] dsafsdf 209: SMILES 209: 209: 209: Parse Error: 209: 209: 209: [14:24:39] SMILES[14:24:39] Parse Error: SMILESSMILES 209: [14:24:39] [14:24:39] 209: SMILES 209: [14:24:39] SMILES[14:24:39] SMILES[14:24:39] ^SMILES 209: Parse Error: check for mistakes around position 1SMILESFailed parsing SMILES 'dsafsdf'[14:24:39] 209: [14:24:39] syntax error[14:24:39] ^ while parsing: [14:24:39] syntax error 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES1 for input: ' Parse Error: dsafsdf' Parse Error: syntax errorsyntax error[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: 209: while parsing: [14:24:39] dsafsdf 209: while parsing: while parsing: dsafsdf Parse Error: Parse Error: SMILESsyntax error Parse Error: dsafsdf[14:24:39] [14:24:39] : 209: SMILES while parsing: 209: ^dsafsdf:SMILES 209: Parse Error: dsafsdf Parse Error: check for mistakes around position 1[14:24:39] 209: :syntax error[14:24:39] Parse Error: check for mistakes around position Failed parsing SMILES 'dsafsdf' 209: Parse Error: while parsing: [14:24:39] ^ 209: SMILES[14:24:39] Parse Error: check for mistakes around position [14:24:39] for input: ' 209: SMILES 209: SMILESSMILES^ 209: syntax error[14:24:39] SMILES^ Parse Error: SMILES[14:24:39] 209: Failed parsing SMILES 'dsafsdf' Parse Error: syntax error Parse Error: check for mistakes around position SMILESdsafsdf 209: syntax error while parsing: Parse Error: 1Failed parsing SMILES 'dsafsdf' 209: [14:24:39] Failed parsing SMILES 'dsafsdf' while parsing: for input: ' Parse Error: check for mistakes around position dsafsdf 209: dsafsdf[14:24:39] [14:24:39] syntax error^ 209: SMILESdsafsdfSMILES1 for input: 'Failed parsing SMILES 'dsafsdf' for input: '[14:24:39] dsafsdf[14:24:39] ' 209: SMILES[14:24:39] 1' 209: while parsing: 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] dsafsdf 209: [14:24:39] 209: Parse Error: [14:24:39] syntax errorSMILES while parsing: Parse Error: SMILES while parsing: dsafsdf Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: for input: ':' 209: Parse Error: check for mistakes around position 209: Parse Error: check for mistakes around position dsafsdfSMILESSMILES Parse Error: [14:24:39] [14:24:39] Failed parsing SMILES 'dsafsdf'dsafsdf 209: [14:24:39] :1 209: [14:24:39] 209: Parse Error: [14:24:39] for input: 'Failed parsing SMILES 'dsafsdf'SMILES[14:24:39] Parse Error: dsafsdfSMILESSMILES for input: 'dsafsdf 209: Parse Error: check for mistakes around position SMILES[14:24:39] Parse Error: :SMILESFailed parsing SMILES 'dsafsdf' Parse Error: check for mistakes around position Failed parsing SMILES 'dsafsdf' for input: '' 209: dsafsdfdsafsdf1[14:24:39] dsafsdfdsafsdfdsafsdf 209: :[14:24:39] Parse Error: check for mistakes around position 209: Parse Error: check for mistakes around position Parse Error: check for mistakes around position 1Failed parsing SMILES 'dsafsdf'dsafsdf 209: dsafsdf1:[14:24:39] Parse Error: 1 209: [14:24:39] Failed parsing SMILES 'dsafsdf'[14:24:39] 209: [14:24:39] ' for input: '[14:24:39] :':SMILESdsafsdf1:1: 209: ' Parse Error: check for mistakes around position SMILES' 209: 209: for input: 'SMILESdsafsdf 209: 209: SMILES[14:24:39] 'dsafsdf: Parse Error: check for mistakes around position 1:dsafsdf^ 209: 209: dsafsdf[14:24:39] ^ 209: 209: [14:24:39] [14:24:39] SMILES[14:24:39] Parse Error: 209: Failed parsing SMILES 'dsafsdf' 209: [14:24:39] 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: 209: [14:24:39] SMILES[14:24:39] 209: 209: 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] ^ 209: SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] [14:24:39] dsafsdf[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: 209: [14:24:39] dsafsdf 209: ^ 209: 209: Parse Error: check for mistakes around position for input: 'SMILES Parse Error: syntax errorSMILESSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' for input: 'dsafsdf[14:24:39] 1[14:24:39] dsafsdf[14:24:39] dsafsdf Parse Error: 209: [14:24:39] '' 209: 209: 209: [14:24:39] SMILES[14:24:39] dsafsdf 209: [14:24:39] SMILES Parse Error: SMILES 209: Parse Error: check for mistakes around position dsafsdfSMILES Parse Error: [14:24:39] Parse Error: check for mistakes around position dsafsdf[14:24:39] 209: [14:24:39] '[14:24:39] Parse Error: 209: :[14:24:39] [14:24:39] Failed parsing SMILES 'dsafsdf'^^11Failed parsing SMILES 'dsafsdf'^: 209: [14:24:39] while parsing: for input: '^ 209: dsafsdf[14:24:39] dsafsdf 209: [14:24:39] 209: 209: '[14:24:39] 209: [14:24:39] :dsafsdf^ Parse Error: ^ 209: 209: 209: dsafsdf 209: Failed parsing SMILES 'dsafsdf' 209: SMILES 209: SMILES 209: [14:24:39] [14:24:39] Parse Error: for input: 'SMILES 209: [14:24:39] Parse Error: for input: 'syntax error 209: syntax errordsafsdf[14:24:39] dsafsdf while parsing: ^[14:24:39] 209: while parsing: dsafsdfSMILES[14:24:39] [14:24:39] Failed parsing SMILES 'dsafsdf' 209: Parse Error: Failed parsing SMILES 'dsafsdf' 209: for input: '^ for input: 'dsafsdf'[14:24:39] 209: dsafsdfSMILES^^dsafsdf 209: SMILES 209: Failed parsing SMILES 'dsafsdf'dsafsdf' 209: [14:24:39] [14:24:39] [14:24:39] dsafsdfSMILES[14:24:39] 209: Parse Error: [14:24:39] [14:24:39] [14:24:39] 209: SMILESSMILES' Parse Error: check for mistakes around position ' 209: Parse Error: check for mistakes around position SMILESSMILES Parse Error: 209: Parse Error: 1[14:24:39] 209: [14:24:39] Parse Error: 1SMILES Parse Error: [14:24:39] Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'[14:24:39] for input: 'dsafsdf' 209: Parse Error: SMILES for input: 'Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfSMILES:[14:24:39] 209: SMILES Parse Error: Parse Error: Failed parsing SMILES 'dsafsdf' Parse Error: [14:24:39] Failed parsing SMILES 'dsafsdf' for input: ' for input: 'dsafsdfFailed parsing SMILES 'dsafsdf':syntax error[14:24:39] dsafsdfSMILES for input: 'dsafsdf' 209: ' 209: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: ^ 209: SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1[14:24:39] SMILES 209: Parse Error: [14:24:39] Parse Error: check for mistakes around position 209: for input: 'dsafsdf while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position Parse Error: 'dsafsdf 209: 209: [14:24:39] :'syntax errorFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf 209: [14:24:39] ^ 209: SMILES Parse Error: syntax errordsafsdf while parsing: 209: 1''dsafsdf while parsing: :dsafsdf 209: 209: [14:24:39] for input: 'dsafsdfdsafsdf 209: 1 209: 209: 209: 209: [14:24:39] [14:24:39] '[14:24:39] SMILES 209: [14:24:39] Parse Error: check for mistakes around position 1: 209: :[14:24:39] [14:24:39] ^^dsafsdf 209: 209: SMILES'[14:24:39] Parse Error: 209: SMILES[14:24:39] Parse Error: check for mistakes around position ^SMILES 209: Failed parsing SMILES 'dsafsdf'dsafsdf 209: [14:24:39] [14:24:39] dsafsdf Parse Error: for input: '[14:24:39] [14:24:39] [14:24:39] SMILESSMILES1syntax errorSMILES 209: 209: [14:24:39] while parsing: Parse Error: dsafsdf Parse Error: SMILES[14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES'Failed parsing SMILES 'dsafsdf': for input: 'dsafsdf' 209: dsafsdf 209: [14:24:39] [14:24:39] ^ 209: Parse Error: check for mistakes around position 1: 209: [14:24:39] 209: dsafsdf 209: Parse Error: SMILESsyntax error while parsing: dsafsdf 209: [14:24:39] [14:24:39] SMILES[14:24:39] Parse Error: 209: Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'[14:24:39] for input: ' Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfdsafsdf'SMILES^dsafsdf 209: for input: '^' 209: Parse Error: check for mistakes around position 1: 209: [14:24:39] ^[14:24:39] Parse Error: check for mistakes around position 1 209: 209: [14:24:39] dsafsdf 209: :[14:24:39] dsafsdf 209: ' 209: dsafsdf[14:24:39] SMILESSMILES 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: 209: [14:24:39] ^[14:24:39] SMILES[14:24:39] Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: 209: [14:24:39] ^ 209: Parse Error: Failed parsing SMILES 'dsafsdf' 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' 209: [14:24:39] for input: 'dsafsdf[14:24:39] dsafsdfSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: ' 209: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: ' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:24:39] SMILES Parse Error: check for mistakes around position 1: 209: [14:24:39] dsafsdf 209: [14:24:39] ^ 209: [14:24:39] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:24:39] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring... 209: =============================================================================== 209: All tests passed (36654 assertions in 15 test cases) 209: 205/272 Test #209: substructLibraryTest ................... Passed 4.50 sec test 213 Start 213: testRGroupDecompInternals 213: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals 213: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition 213: Test timeout computed to be: 7200 213: Randomness seeded to: 3046978938 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 213: =============================================================================== 213: All tests passed (26 assertions in 3 test cases) 213: 206/272 Test #213: testRGroupDecompInternals .............. Passed 0.05 sec test 214 Start 214: rgroupCatchTests 214: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition/rgroupCatchTests 214: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition 214: Test timeout computed to be: 7200 212: Randomness seeded to: 2686307272 212: [14:24:39] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters 212: [14:24:39] WARNING: not removing hydrogen atom with dummy atom neighbors 158: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 214: Randomness seeded to: 2592085637 214: =============================================================================== 214: All tests passed (1504 assertions in 16 test cases) 214: 207/272 Test #214: rgroupCatchTests ....................... Passed 0.56 sec test 215 Start 215: pyRGroupDecomposition 215: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py" 215: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/RGroupDecomposition/Wrap 215: Test timeout computed to be: 7200 211: ......[14:24:40] 211: 211: **** 211: Pre-condition Violation 211: RingInfo not initialized 211: Violation occurred on line 53 in file ./Code/GraphMol/RingInfo.cpp 211: Failed Expression: df_init 211: ---------- 211: Stacktrace: 211: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 211: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 211: 2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 211: 3# 0x00000000000B9320 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSmilesParse.so.1 211: 4# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSmilesParse.so.1 211: 5# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 211: 6# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 9# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 13# 0x000000000029A3B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 15# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 211: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 21# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 22# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 23# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 24# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 25# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 31# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 32# _PyObject_MakeTpCall in /usr/bin/python3 211: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 34# 0x00000000002AADF4 in /usr/bin/python3 211: 35# 0x00000000000AADF0 in /usr/bin/python3 211: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 37# 0x00000000002AADF4 in /usr/bin/python3 211: 38# 0x00000000000AC98C in /usr/bin/python3 211: 39# 0x000000000019A2B8 in /usr/bin/python3 211: 40# _PyObject_MakeTpCall in /usr/bin/python3 211: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 42# 0x00000000002AADF4 in /usr/bin/python3 211: 43# 0x00000000000AADF0 in /usr/bin/python3 211: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 45# 0x00000000002AADF4 in /usr/bin/python3 211: 46# 0x00000000000AC98C in /usr/bin/python3 211: 47# 0x000000000019A2B8 in /usr/bin/python3 211: 48# _PyObject_MakeTpCall in /usr/bin/python3 211: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 50# 0x00000000002AADF4 in /usr/bin/python3 211: 51# 0x00000000000AADF0 in /usr/bin/python3 211: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 53# 0x00000000002AADF4 in /usr/bin/python3 211: 54# 0x00000000000AC98C in /usr/bin/python3 211: 55# 0x000000000019A2B8 in /usr/bin/python3 211: 56# _PyObject_MakeTpCall in /usr/bin/python3 211: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 58# 0x00000000002AADF4 in /usr/bin/python3 211: 59# 0x00000000000AC98C in /usr/bin/python3 211: 60# 0x0000000000193854 in /usr/bin/python3 211: 61# 0x0000000000189714 in /usr/bin/python3 211: 62# _PyObject_MakeTpCall in /usr/bin/python3 211: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 64# PyEval_EvalCode in /usr/bin/python3 211: 65# 0x000000000033C338 in /usr/bin/python3 211: 66# 0x000000000033ECB8 in /usr/bin/python3 211: 67# 0x000000000033F214 in /usr/bin/python3 211: 68# 0x000000000037E5E8 in /usr/bin/python3 211: 69# Py_BytesMain in /usr/bin/python3 211: 70# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 71# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 72# _start in /usr/bin/python3 211: ---------- 211: **** 211: 211: [14:24:40] 211: 211: **** 211: Pre-condition Violation 211: RingInfo not initialized 211: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 211: Failed Expression: df_init 211: ---------- 211: Stacktrace: 211: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 211: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 211: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 211: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 211: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 211: 5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 6# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 7# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 9# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSubstructMatch.so.1 211: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 13# 0x000000000029A3B8 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 15# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 211: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 21# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 22# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 23# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 24# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 25# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 31# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 32# _PyObject_MakeTpCall in /usr/bin/python3 211: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 34# 0x00000000002AADF4 in /usr/bin/python3 211: 35# 0x00000000000AADF0 in /usr/bin/python3 211: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 37# 0x00000000002AADF4 in /usr/bin/python3 211: 38# 0x00000000000AC98C in /usr/bin/python3 211: 39# 0x000000000019A2B8 in /usr/bin/python3 211: 40# _PyObject_MakeTpCall in /usr/bin/python3 211: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 42# 0x00000000002AADF4 in /usr/bin/python3 211: 43# 0x00000000000AADF0 in /usr/bin/python3 211: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 45# 0x00000000002AADF4 in /usr/bin/python3 211: 46# 0x00000000000AC98C in /usr/bin/python3 211: 47# 0x000000000019A2B8 in /usr/bin/python3 211: 48# _PyObject_MakeTpCall in /usr/bin/python3 211: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 50# 0x00000000002AADF4 in /usr/bin/python3 211: 51# 0x00000000000AADF0 in /usr/bin/python3 211: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 53# 0x00000000002AADF4 in /usr/bin/python3 211: 54# 0x00000000000AC98C in /usr/bin/python3 211: 55# 0x000000000019A2B8 in /usr/bin/python3 211: 56# _PyObject_MakeTpCall in /usr/bin/python3 211: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 58# 0x00000000002AADF4 in /usr/bin/python3 211: 59# 0x00000000000AC98C in /usr/bin/python3 211: 60# 0x0000000000193854 in /usr/bin/python3 211: 61# 0x0000000000189714 in /usr/bin/python3 211: 62# _PyObject_MakeTpCall in /usr/bin/python3 211: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 64# PyEval_EvalCode in /usr/bin/python3 211: 65# 0x000000000033C338 in /usr/bin/python3 211: 66# 0x000000000033ECB8 in /usr/bin/python3 211: 67# 0x000000000033F214 in /usr/bin/python3 211: 68# 0x000000000037E5E8 in /usr/bin/python3 211: 69# Py_BytesMain in /usr/bin/python3 211: 70# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 71# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 72# _start in /usr/bin/python3 211: ---------- 211: **** 211: 158: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 215: ..................... 215: ---------------------------------------------------------------------- 215: Ran 21 tests in 1.522s 215: 215: OK 208/272 Test #215: pyRGroupDecomposition .................. Passed 1.78 sec test 216 Start 216: determineBondsCatchTest 216: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DetermineBonds/determineBondsCatchTest 216: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DetermineBonds 216: Test timeout computed to be: 7200 158: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 216: Randomness seeded to: 127709785 216: [14:24:42] Interrupted, cancelling determine Bond Orders 216: =============================================================================== 216: All tests passed (5192 assertions in 12 test cases) 216: 209/272 Test #216: determineBondsCatchTest ................ Passed 0.45 sec test 217 Start 217: pyDetermineBonds 217: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/Wrap/testDetermineBonds.py" 217: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/DetermineBonds/Wrap 217: Test timeout computed to be: 7200 217: .s... 217: ---------------------------------------------------------------------- 217: Ran 5 tests in 0.059s 217: 217: OK (skipped=1) 210/272 Test #217: pyDetermineBonds ....................... Passed 0.29 sec test 218 Start 218: molInterchangeTest1 218: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange/molInterchangeTest1 218: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange 218: Test timeout computed to be: 7200 218: [14:24:42] test1: basics 218: [14:24:42] done 218: [14:24:42] test2: basic writing 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"bo":2,"atoms":[1,2]},{"atoms":[2,3]},{"bo":2,"atoms":[3,4]},{"atoms":[4,5]},{"bo":2,"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"atomRings":[[0,1,2,3,4,5]]}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"atomRings":[[2,3,5,6,8,9]]}]}]} 218: [14:24:42] done 218: [14:24:42] test3: writing conformers 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988E0,-4.52E-2],[-3.332E-1,4.556E-1],[1.66E-1,1.322E0],[5.332E-1,-4.38E-2],[-2.0652E0,4.542E-1],[-8.34E-1,1.3212E0]]},{"dim":3,"coords":[[9.554E-1,-3.743E-1,-4.679E-1],[-3.616E-1,-1.311E-1,-7.95E-2],[-5.097E-1,1.6256E0,1.706E-1],[-5.779E-1,-7.92E-1,1.1042E0],[1.5277E0,1.064E-1,1.628E-1],[-1.0339E0,-4.346E-1,-8.902E-1]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.09.1","values":[-3.52E-1,2.73E-1,-5.5E-2,-1.98E-1,2.15E-1,1.17E-1]}]}]} 218: [14:24:42] done 218: [14:24:42] test4: writing properties 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2E0},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"}]}]} 218: [14:24:42] done 218: [14:24:42] test5: writing partial charges 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.09.1","values":[5E-1,-5E-1]}]}]} 218: [14:24:42] testing parse options 218: [14:24:42] done 218: [14:24:42] testing github #2046: CIPRank values from JSONDataToMols are not unsigned 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]} 218: [14:24:42] done 218: [14:24:42] testing 'either' stereochemistry 218: [14:24:42] done 211/272 Test #218: molInterchangeTest1 .................... Passed 0.03 sec test 219 Start 219: molInterchangeCatchTest 219: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange/molInterchangeCatchTest 219: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange 219: Test timeout computed to be: 7200 219: Randomness seeded to: 3629147992 219: [14:24:42] unrecognized bond type set to zero while writing 219: [14:24:42] unrecognized bond type 219: set to zero while writing 219: [14:24:42] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: [14:24:42] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: [14:24:42] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: =============================================================================== 219: All tests passed (147 assertions in 8 test cases) 219: 212/272 Test #219: molInterchangeCatchTest ................ Passed 0.04 sec test 220 Start 220: pyMolInterchange 220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py" 220: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInterchange/Wrap 220: Test timeout computed to be: 7200 199: Randomness seeded to: 642808215 199: =============================================================================== 199: All tests passed (90 assertions in 16 test cases) 199: 213/272 Test #199: testEnumerateStereoisomers ............. Passed 24.93 sec test 221 Start 221: testSLNParse 221: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/testSLNParse 221: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse 221: Test timeout computed to be: 7200 221: Atoms: 221: 0 6 C chg: 1 deg: 5 exp: N/A imp: 0 hyb: 221: 1 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 2 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 3 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 4 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 5 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: Bonds: 221: 0 0->1 order: 1 221: 1 0->2 order: 1 221: 2 0->3 order: 1 221: 3 0->4 order: 1 221: 4 0->5 order: 1 221: [14:24:42] SLN Parse Error: syntax error while parsing: CH4[I=13] 221: [14:24:42] Failed parsing SLN 'CH4[I=13]' 221: [14:24:42] SLN Parser error: Atom ID 1 appears *after* its ring closure. 221: [14:24:42] SLN Parser error: Ring closure 1 does not have a corresponding opener. 221: [14:24:42] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 221: [14:24:42] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)' 221: [14:24:42] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 221: [14:24:42] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)' 221: [14:24:42] SLN Parse Error: syntax error while parsing: CH4 fff 221: [14:24:42] Failed parsing SLN 'CH4 fff' 221: [14:24:42] SLN Parse Error: syntax error while parsing: C[charge=+1] foo 221: [14:24:42] Failed parsing SLN 'C[charge=+1] foo' 221: [14:24:42] Query property 'is' ignored on non-query atom 221: [14:24:42] Query property 'is' ignored on non-query atom 214/272 Test #221: testSLNParse ........................... Passed 0.03 sec test 222 Start 222: pySLNParse 222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/Wrap/testSLN.py" 222: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/SLNParse/Wrap 222: Test timeout computed to be: 7200 220: .. 220: ---------------------------------------------------------------------- 220: Ran 2 tests in 0.010s 220: 220: OK 215/272 Test #220: pyMolInterchange ....................... Passed 0.24 sec test 223 Start 223: pyGraphMolWrap 223: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/rough_test.py" 223: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 223: Test timeout computed to be: 7200 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.009s 222: 222: OK 216/272 Test #222: pySLNParse ............................. Passed 0.25 sec test 224 Start 224: pyTestGetPropDefault 224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testGetPropDefault.py" 224: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 224: Test timeout computed to be: 7200 158: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 158: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 211: ............... 211: ---------------------------------------------------------------------- 211: Ran 21 tests in 4.935s 211: 211: OK 211: Testing atom rings 211: testing bond rings 211: searching atom rings 211: searching bond rings 211: done 217/272 Test #211: pySubstructLibrary ..................... Passed 5.30 sec test 225 Start 225: pyTestConformerWrap 225: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testConformer.py" 225: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 225: Test timeout computed to be: 7200 223: ..............[14:24:43] SMARTS Parse Error: syntax error while parsing: fiib 223: [14:24:43] SMARTS Parse Error: check for mistakes around position 1: 223: [14:24:43] fiib 223: [14:24:43] ^ 223: [14:24:43] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib' 223: ....[14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] Spurious data before the first property will be ignored 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] Spurious data before the first property will be ignored 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] Property will be truncated after the first blank line 223: [14:24:43] ERROR: Problems encountered parsing data fields 223: [14:24:43] ERROR: moving to the beginning of the next molecule 223: [14:24:43] Property will be truncated after the first blank line 223: .[14:24:43] SMILES Parse Error: syntax error while parsing: fail 223: [14:24:43] SMILES Parse Error: check for mistakes around position 1: 223: [14:24:43] fail 223: [14:24:43] ^ 223: [14:24:43] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 223: [14:24:43] ERROR: Smiles parse error on line 2 223: [14:24:43] ERROR: Cannot create molecule from : 'fail' 223: >>> This may result in an infinite loop. It should finish almost instantly 223: <<< OK, it finished. 223: ............[14:24:43] Explicit valence for atom # 1 C, 5, is greater than permitted 223: .../usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmp74ld24x7.sdf'>> 223: _warnings.warn(self.warn_message, ResourceWarning) 223: ...[14:24:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:24:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:24:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:24:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: .........[14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 12 < 6 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 4# 0x00000000002BB5CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] non-ring atom 0 marked aromatic 223: [14:24:43] 223: 223: **** 224: ============================= test session starts ============================== 224: platform linux -- Python 3.14.10, pytest-9.1.1, pluggy-1.6.0 224: rootdir: /build/reproducible-path/rdkit-202609.1 224: collected 42 items 224: 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 12 < 6 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 4# 0x00000000002BB5CC in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ...............[14:24:43] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 223: [14:24:43] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 224: ../../../../Code/GraphMol/Wrap/testGetPropDefault.py ................... [ 45%] 225: ...... 225: ---------------------------------------------------------------------- 225: Ran 6 tests in 0.121s 225: 225: OK 223: ..............[14:24:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: [14:24:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: [14:24:43] Explicit valence for atom # 1 C, 5, is greater than permitted 218/272 Test #225: pyTestConformerWrap .................... Passed 0.36 sec test 226 Start 226: pyTestTrajectory 226: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testTrajectory.py" 226: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 226: Test timeout computed to be: 7200 224: ....................... [100%] 224: 224: ============================== 42 passed in 0.21s ============================== 219/272 Test #224: pyTestGetPropDefault ................... Passed 0.89 sec test 227 Start 227: pyTestSGroups 227: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSGroups.py" 227: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 227: Test timeout computed to be: 7200 226: [14:24:43] 226: 226: **** 226: Pre-condition Violation 226: from must be < size() 226: Violation occurred on line 95 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: from < static_cast(size()) 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:24:43] 226: 226: **** 226: Pre-condition Violation 226: from must be < size() 226: Violation occurred on line 95 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: from < static_cast(size()) 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 227: ............. 227: ---------------------------------------------------------------------- 227: Ran 13 tests in 0.022s 227: 227: OK 227: Testing SubstanceGroups wrapper 220/272 Test #227: pyTestSGroups .......................... Passed 0.26 sec test 228 Start 228: pyTestSCSR 228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSCSR.py" 228: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 228: Test timeout computed to be: 7200 228: ... 228: ---------------------------------------------------------------------- 228: Ran 3 tests in 0.023s 228: 228: OK 223: ............................[14:24:44] unable to set wavy bonds for double bonds: 3 226: .[14:24:44] 226: 226: **** 221/272 Test #228: pyTestSCSR ............................. Passed 0.25 sec test 229 Start 229: pySubstructureMatch 229: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSubstructureMatch.py" 229: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 229: Test timeout computed to be: 7200 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 0 < 0 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:24:44] 226: 226: **** 223: ..............[14:24:44] 223: 223: **** 226: Pre-condition Violation 226: The trajectory must have dimension == 3 226: Violation occurred on line 117 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: traj.dimension() == 3 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::readAmberTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl, std::allocator > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: ..[14:24:44] 226: 226: **** 226: Pre-condition Violation 226: The trajectory must have dimension == 3 226: Violation occurred on line 158 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: traj.dimension() == 3 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::readGromosTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl, std::allocator > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 6 < 5 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 226: .[14:24:44] 226: 226: **** 226: Pre-condition Violation 226: d_pos must not be NULL 226: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_pos 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:24:44] 226: 226: **** 226: Pre-condition Violation 226: d_trajectory must not be NULL 226: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:24:44] 226: 226: **** 158: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 5 < 5 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:24:44] 226: 226: **** 226: Range Error 226: pointNum 226: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 10 < 10 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:24:44] 226: 226: **** 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 5 < 5 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:24:44] 226: 226: **** 226: Pre-condition Violation 226: d_dimension must be == 2 226: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory->dimension() == 2 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:24:44] 226: 226: **** 226: Pre-condition Violation 226: d_dimension must be == 2 226: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory->dimension() == 2 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: . 226: ---------------------------------------------------------------------- 226: Ran 9 tests in 0.575s 226: 226: OK 226: Testing Trajectory wrapper 222/272 Test #226: pyTestTrajectory ....................... Passed 0.81 sec test 230 Start 230: pyTestThreads 230: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testThreads.py" 230: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 230: Test timeout computed to be: 7200 229: ... 229: ---------------------------------------------------------------------- 229: Ran 3 tests in 0.010s 229: 229: OK 223/272 Test #229: pySubstructureMatch .................... Passed 0.24 sec test 231 Start 231: pyTestMultithreadedMolSupplier 231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py" 231: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 231: Test timeout computed to be: 7200 212: [14:24:44] Relabelling existing label 158: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 231: .s... 231: ---------------------------------------------------------------------- 231: Ran 5 tests in 0.111s 231: 231: OK (skipped=1) 224/272 Test #231: pyTestMultithreadedMolSupplier ......... Passed 0.35 sec test 232 Start 232: pyTestPropertyLists 232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testPropertyLists.py" 232: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 232: Test timeout computed to be: 7200 212: =============================================================================== 212: All tests passed (931 assertions in 53 test cases) 212: 225/272 Test #212: testRGroupDecomp ....................... Passed 6.42 sec test 233 Start 233: pyCDXMLTest 233: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_cdxml.py" 233: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 233: Test timeout computed to be: 7200 232: ..... 232: ---------------------------------------------------------------------- 232: Ran 5 tests in 0.011s 232: 232: OK 226/272 Test #232: pyTestPropertyLists .................... Passed 0.23 sec test 234 Start 234: pySubsetTest 234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_subset.py" 234: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 234: Test timeout computed to be: 7200 233: .......... 233: ---------------------------------------------------------------------- 233: Ran 10 tests in 0.025s 233: 233: OK 234: . 234: ---------------------------------------------------------------------- 234: Ran 1 test in 0.010s 234: 234: OK 223: ......................[14:24:45] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:45] Explicit valence for atom # 6 F, 2, is greater than permitted 223: [14:24:45] Can't kekulize mol. Unkekulized atoms: 3 4 5 223: [14:24:45] Can't kekulize mol. Unkekulized atoms: 3 4 5 223: ..smi: CC1=C(n2cccc2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:8.9,2.11,a:2,&1:8| 223: CC/C=C/C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C\CC)=C(CC)CO 223: CC/C=C/C(/C=C/CC)=C(CC)CO 223: 2 STEREOE 223: 5 STEREOE 223: CC/C=C\C(/C=C\CC)=C(CC)CO 223: 2 STEREOZ 223: 5 STEREOZ 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: 2 STEREOZ 223: 5 STEREOE 223: 8 STEREOANY 227/272 Test #233: pyCDXMLTest ............................ Passed 0.27 sec test 235 Start 235: pyTestLazyNumpy 235: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_lazy_numpy.py" 235: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 235: Test timeout computed to be: 7200 228/272 Test #234: pySubsetTest ........................... Passed 0.23 sec test 236 Start 236: pySubstructTest 236: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_substruct.py" 236: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Wrap 236: Test timeout computed to be: 7200 229/272 Test #230: pyTestThreads .......................... Passed 1.10 sec test 237 Start 237: molStandardizeTest 237: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molStandardizeTest 237: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 237: Test timeout computed to be: 7200 236: . 236: ---------------------------------------------------------------------- 236: Ran 1 test in 0.009s 236: 236: OK 230/272 Test #236: pySubstructTest ........................ Passed 0.23 sec test 238 Start 238: molNormalizeTest 238: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molNormalizeTest 238: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 238: Test timeout computed to be: 7200 238: [14:24:45] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 238: [14:24:45] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 238: [14:24:45] Initializing Normalizer 238: [14:24:45] Running Normalizer 238: [14:24:45] Rule applied: BrokenazidetoN=N+=N- 238: [14:24:45] Initializing Normalizer 238: [14:24:45] Running Normalizer 238: [14:24:45] Initializing Normalizer 238: [14:24:45] Running Normalizer 231/272 Test #238: molNormalizeTest ....................... Passed 0.14 sec test 239 Start 239: molValidateTest 239: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molValidateTest 239: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 239: Test timeout computed to be: 7200 239: ERROR: [FeaturesValidation] Query atom 0 is not allowed 239: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed 239: ERROR: [FeaturesValidation] Query bond 0 is not allowed 239: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed 239: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed 239: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed 239: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed 239: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds. 239: here 239: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order. 239: there 239: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents. 232/272 Test #239: molValidateTest ........................ Passed 0.06 sec test 240 Start 240: molChargeTest 240: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molChargeTest 240: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 240: Test timeout computed to be: 7200 233/272 Test #240: molChargeTest .......................... Passed 0.09 sec test 241 Start 241: molTautomerTest 241: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molTautomerTest 241: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 241: Test timeout computed to be: 7200 241: [14:24:46] Tautomer enumeration stopped at 295 tautomers: max transforms reached 234/272 Test #237: molStandardizeTest ..................... Passed 0.98 sec test 242 Start 242: molStandardizeSmallTest 242: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molStandardizeSmallTest 242: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 242: Test timeout computed to be: 7200 235/272 Test #242: molStandardizeSmallTest ................ Passed 0.05 sec test 243 Start 243: molFragmentTest 243: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molFragmentTest 243: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 243: Test timeout computed to be: 7200 243: [14:24:46] SMARTS Parse Error: syntax error while parsing: [Cl 243: [14:24:46] SMARTS Parse Error: check for mistakes around position 3: 243: [14:24:46] [Cl 243: [14:24:46] ~~^ 243: [14:24:46] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl' 236/272 Test #243: molFragmentTest ........................ Passed 0.06 sec test 244 Start 244: molStandardizeCatchTest 244: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molStandardizeCatchTest 244: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 244: Test timeout computed to be: 7200 241: [14:24:46] Tautomer enumeration stopped at 295 tautomers: max transforms reached 241: [14:24:46] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 244: Randomness seeded to: 564641534 244: * - * - * - * m1 244: * - * - * - * m2 244: * - * - * - * m1 244: * - * - * - * m2 244: [14:24:47] Can't kekulize mol. Unkekulized atoms: 3 7 244: [14:24:47] Can't kekulize mol. Unkekulized atoms: 3 8 244: [14:24:47] Can't kekulize mol. Unkekulized atoms: 2 3 4 241: [14:24:47] Tautomer enumeration stopped at 88 tautomers: canceled 241: Enumeration was canceled due to timeout (50 ms) 158: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 235: ....... 235: ---------------------------------------------------------------------- 235: Ran 7 tests in 1.814s 235: 235: OK 237/272 Test #235: pyTestLazyNumpy ........................ Passed 1.94 sec test 245 Start 245: molStandardizePipelineTest 245: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molStandardizePipelineTest 245: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 245: Test timeout computed to be: 7200 245: Randomness seeded to: 2780327119 245: 1 Counts line too short: '' on line4 245: 1 Could not instantiate a valid molecule from input 245: 8 Molecule has no atoms 245: [14:24:47] Explicit valence for atom # 1 N, 4, is greater than permitted 245: [14:24:47] Explicit valence for atom # 1 N, 4, is greater than permitted 245: 8 Explicit valence for atom # 1 N, 4, is greater than permitted 245: 128 An error occurred while preparing the molecule for standardization. 245: 8 The molecule contains an unknown isotope: 3C 245: 4 Query atom 0 is not allowed 245: 4 Bond 0 of aromatic type is not allowed 245: 4 Bond 1 of aromatic type is not allowed 245: 4 Bond 2 of aromatic type is not allowed 245: 4 Bond 3 of aromatic type is not allowed 245: 4 Bond 5 of aromatic type is not allowed 245: 4 Bond 6 of aromatic type is not allowed 245: 4 Bond 2 of dative type is not allowed 245: 4 Bond 3 of dative type is not allowed 245: 4 Enhanced stereochemistry features are not allowed 245: 8 The radical at atom 0 is not allowed 245: [14:24:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 245: 16 The molecule includes non-null Z coordinates 245: 32 Atom 0 too close to bond 2 245: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit 245: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds 245: 64 Atom 0 has adjacent stereo bonds with like orientation 245: [14:24:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 245: 16 The molecule includes non-null Z coordinates 245: 64 Atom 0 has adjacent stereo bonds with like orientation 245: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 2 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 3 was removed 245: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 2 was removed 241: 375 241: Enumeration has completed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 The "wavy" style of bond 3 was removed 245: 16777216 The representation of some functional groups was adjusted. 245: [14:24:47] Can't kekulize mol. Unkekulized atoms: 2 3 5 245: [14:24:47] Can't kekulize mol. Unkekulized atoms: 2 3 5 245: =============================================================================== 245: All tests passed (318 assertions in 5 test cases) 245: 238/272 Test #245: molStandardizePipelineTest ............. Passed 0.22 sec test 246 Start 246: molStandardizeTautomerCatch 246: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/molStandardizeTautomerCatch 246: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize 246: Test timeout computed to be: 7200 241: [14:24:47] Tautomer enumeration stopped at 88 tautomers: canceled 246: Randomness seeded to: 3277767686 246: =============================================================================== 246: All tests passed (14 assertions in 1 test case) 246: 239/272 Test #246: molStandardizeTautomerCatch ............ Passed 0.05 sec test 247 Start 247: pyMolStandardize 247: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py" 247: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolStandardize/Wrap 247: Test timeout computed to be: 7200 158: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 223: ..................[14:24:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 241: CN=c1cc[nH]cn1 241: CN=c1ccnc[nH]1 241: CNc1ccncn1 241: res: CNc1ccncn1 241: CN=c1cccc[nH]1 241: CNc1ccccn1 241: res: CNc1ccccn1 247: ......[14:24:48] Tautomer enumeration stopped at 295 tautomers: max transforms reached 240/272 Test #241: molTautomerTest ........................ Passed 2.58 sec test 248 Start 248: testScaffoldNetwork 248: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork 248: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ScaffoldNetwork 248: Test timeout computed to be: 7200 247: [14:24:48] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 247: .[14:24:48] Tautomer enumeration stopped at 85 tautomers: canceled 247: Enumeration was canceled due to timeout (50 ms) 158: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 158: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 158: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 248: Randomness seeded to: 2962415033 248: =============================================================================== 248: All tests passed (273 assertions in 19 test cases) 248: 241/272 Test #248: testScaffoldNetwork .................... Passed 1.12 sec test 249 Start 249: pyScaffoldNetwork 249: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py" 249: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ScaffoldNetwork/Wrap 249: Test timeout computed to be: 7200 247: Enumeration has completed 247: [14:24:49] Tautomer enumeration stopped at 85 tautomers: canceled 249: ....... 249: ---------------------------------------------------------------------- 249: Ran 7 tests in 0.040s 249: 249: OK 242/272 Test #249: pyScaffoldNetwork ...................... Passed 0.28 sec test 250 Start 250: pyScaffoldNetworkPickling 250: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py" 250: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/ScaffoldNetwork/Wrap 250: Test timeout computed to be: 7200 247: ..........[14:24:50] Explicit valence for atom # 1 N, 4, is greater than permitted 247: [14:24:50] Explicit valence for atom # 1 N, 4, is greater than permitted 247: [14:24:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 247: [14:24:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 250: . 250: ---------------------------------------------------------------------- 250: Ran 1 test in 0.013s 250: 250: OK 243/272 Test #250: pyScaffoldNetworkPickling .............. Passed 0.25 sec test 251 Start 251: testMolEnumerator 251: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator/testMolEnumerator 251: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator 251: Test timeout computed to be: 7200 251: Randomness seeded to: 1953342643 251: [14:24:50] can only enumerate SRUs with CONNECT=HT or CONNECT=HH 251: =============================================================================== 251: All tests passed (321 assertions in 16 test cases) 251: 244/272 Test #251: testMolEnumerator ...................... Passed 0.09 sec test 252 Start 252: pyMolEnumerator 252: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/Wrap/rough_test.py" 252: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolEnumerator/Wrap 252: Test timeout computed to be: 7200 252: ... 252: ---------------------------------------------------------------------- 252: Ran 3 tests in 0.013s 252: 252: OK 245/272 Test #252: pyMolEnumerator ........................ Passed 0.25 sec test 253 Start 253: testAbbreviations 253: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations/testAbbreviations 253: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations 253: Test timeout computed to be: 7200 253: Randomness seeded to: 2985173801 253: [14:24:50] SMARTS Parse Error: syntax error while parsing: *fail 253: [14:24:50] SMARTS Parse Error: check for mistakes around position 2: 253: [14:24:50] *fail 253: [14:24:50] ~^ 253: [14:24:50] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail' 253: [14:24:50] no suitable SubstanceGroups found 253: [14:24:50] SUP group without any bonds 253: [14:24:50] SUP group without any bonds 253: =============================================================================== 253: All tests passed (203 assertions in 13 test cases) 253: 246/272 Test #253: testAbbreviations ...................... Passed 0.04 sec test 254 Start 254: pyAbbreviations 254: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py" 254: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/Abbreviations/Wrap 254: Test timeout computed to be: 7200 158: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 247: ............[14:24:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 247: [14:24:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 247: [14:24:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 254: ....... 254: ---------------------------------------------------------------------- 254: Ran 7 tests in 0.019s 254: 254: OK 247/272 Test #254: pyAbbreviations ........................ Passed 0.27 sec test 255 Start 255: generalizedSubstructCatch 255: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch 255: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GeneralizedSubstruct 255: Test timeout computed to be: 7200 247: ........[14:24:51] Explicit valence for atom # 1 O, 3, is greater than permitted 255: Randomness seeded to: 4086268344 255: =============================================================================== 255: All tests passed (486 assertions in 10 test cases) 255: 248/272 Test #255: generalizedSubstructCatch .............. Passed 0.25 sec test 256 Start 256: pyGeneralizedSubstruct 256: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py" 256: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/GeneralizedSubstruct/Wrap 256: Test timeout computed to be: 7200 247: ...[14:24:51] WARNING: Omitted undefined stereo 247: 247: [14:24:51] WARNING: Omitted undefined stereo 247: 247: . 247: ---------------------------------------------------------------------- 247: Ran 41 tests in 3.193s 247: 247: OK 247: done 249/272 Test #247: pyMolStandardize ....................... Passed 3.47 sec test 257 Start 257: testMolProcessing 257: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolProcessing/testMolProcessing 257: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolProcessing 257: Test timeout computed to be: 7200 256: ....... 256: ---------------------------------------------------------------------- 256: Ran 7 tests in 0.145s 256: 256: OK 250/272 Test #256: pyGeneralizedSubstruct ................. Passed 0.38 sec test 258 Start 258: pyMolProcessing 258: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py" 258: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolProcessing/Wrap 258: Test timeout computed to be: 7200 158: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 258: .. 258: ---------------------------------------------------------------------- 258: Ran 2 tests in 0.297s 258: 258: OK 158: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 251/272 Test #258: pyMolProcessing ........................ Passed 0.65 sec test 259 Start 259: testMIF 259: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInteractionFields/testMIF 259: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInteractionFields 259: Test timeout computed to be: 7200 158: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 259: Randomness seeded to: 2822903950 259: =============================================================================== 259: All tests passed (27926 assertions in 8 test cases) 259: 252/272 Test #259: testMIF ................................ Passed 0.08 sec test 260 Start 260: pyMIF 260: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py" 260: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/GraphMol/MolInteractionFields/Wrap 260: Test timeout computed to be: 7200 158: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 158: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 260: ....... 260: ---------------------------------------------------------------------- 260: Ran 7 tests in 0.183s 260: 260: OK 260: Testing MIF wrapper 253/272 Test #260: pyMIF .................................. Passed 0.43 sec test 261 Start 261: testQuery 261: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Query/testQuery 261: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Query 261: Test timeout computed to be: 7200 261: Randomness seeded to: 1267063757 261: =============================================================================== 261: All tests passed (111 assertions in 16 test cases) 261: 254/272 Test #261: testQuery .............................. Passed 0.00 sec test 262 Start 262: testBaseFeatures 262: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Features/testBaseFeatures 262: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Features 262: Test timeout computed to be: 7200 262: Randomness seeded to: 2735899899 262: =============================================================================== 262: All tests passed (61 assertions in 3 test cases) 262: 255/272 Test #262: testBaseFeatures ....................... Passed 0.00 sec test 263 Start 263: testMatCalc 263: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataManip/MetricMatrixCalc/testMatCalc 263: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataManip/MetricMatrixCalc 263: Test timeout computed to be: 7200 263: 1.68022e+08 263: 1.73149e+08 263: 1.05549e+08 263: 7.20603e+07 263: 1.41535e+08 263: 1.08592e+08 263: 1.11334e+08 263: 2.05553e+08 263: 1.54962e+08 263: 8.08231e+07 263: 5.61421e+07 263: 1.28874e+08 263: 1.59011e+08 263: 8.69902e+07 263: 1.31367e+08 263: 2.27389e+08 263: 1.60289e+08 263: 7.79813e+07 263: 1.61001e+08 263: 2.07599e+08 263: 2.24432e+08 263: 1.39725e+08 263: 2.42614e+08 263: 1.77578e+08 263: 1.05908e+08 263: 9.06742e+07 263: 1.8087e+08 263: 1.98182e+08 263: 2.03052e+08 263: 1.7673e+08 263: 9.32798e+07 263: 1.37969e+08 263: 1.83778e+08 263: 2.1228e+08 263: 5.06157e+07 263: 1.566e+08 263: 2.37142e+08 263: 1.49345e+08 263: 7.05819e+07 263: 1.71633e+08 263: 1.96817e+08 263: 2.18246e+08 263: 9.49496e+07 263: 2.25618e+08 263: 1.30219e+08 256/272 Test #263: testMatCalc ............................ Passed 0.00 sec test 264 Start 264: pyMatCalc 264: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 264: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/DataManip/MetricMatrixCalc/Wrap 264: Test timeout computed to be: 7200 257: Randomness seeded to: 1092491980 257: =============================================================================== 257: All tests passed (203 assertions in 1 test case) 257: 257/272 Test #257: testMolProcessing ...................... Passed 2.03 sec test 265 Start 265: testSimDivPickers 265: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers/testSimDivPickers 265: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers 265: Test timeout computed to be: 7200 265: Randomness seeded to: 1559577599 265: =============================================================================== 265: All tests passed (13 assertions in 2 test cases) 265: 258/272 Test #265: testSimDivPickers ...................... Passed 0.00 sec test 266 Start 266: pickersTestsCatch 266: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers/pickersTestsCatch 266: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers 266: Test timeout computed to be: 7200 264: ..... 264: ---------------------------------------------------------------------- 264: Ran 5 tests in 0.295s 264: 264: OK 259/272 Test #264: pyMatCalc .............................. Passed 0.58 sec test 267 Start 267: pySimDivPickers 267: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/Wrap/testPickers.py" 267: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/SimDivPickers/Wrap 267: Test timeout computed to be: 7200 266: Randomness seeded to: 3986429630 266: =============================================================================== 266: All tests passed (21267 assertions in 1 test case) 266: 260/272 Test #266: pickersTestsCatch ...................... Passed 0.08 sec test 268 Start 268: pyRanker 268: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/Wrap/testRanker.py" 268: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ML/InfoTheory/Wrap 268: Test timeout computed to be: 7200 268: ..[14:24:53] 268: 268: **** 268: Invariant Violation 268: Can't rank more bits than the ensemble size 268: Violation occurred on line 154 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp 268: Failed Expression: num <= dp_maskBits->getNumOnBits() 268: ---------- 268: Stacktrace: 268: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 268: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 268: 2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitInfoTheory.so.1 268: 3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so 268: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so 268: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 12# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 13# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 14# _PyObject_MakeTpCall in /usr/bin/python3 268: 15# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 16# 0x00000000002AADF4 in /usr/bin/python3 268: 17# 0x00000000000AADF0 in /usr/bin/python3 268: 18# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 19# 0x00000000002AADF4 in /usr/bin/python3 268: 20# 0x00000000000AC98C in /usr/bin/python3 268: 21# 0x000000000019A2B8 in /usr/bin/python3 268: 22# _PyObject_MakeTpCall in /usr/bin/python3 268: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 24# 0x00000000002AADF4 in /usr/bin/python3 268: 25# 0x00000000000AADF0 in /usr/bin/python3 268: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 27# 0x00000000002AADF4 in /usr/bin/python3 268: 28# 0x00000000000AC98C in /usr/bin/python3 268: 29# 0x000000000019A2B8 in /usr/bin/python3 268: 30# _PyObject_MakeTpCall in /usr/bin/python3 268: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 32# 0x00000000002AADF4 in /usr/bin/python3 268: 33# 0x00000000000AADF0 in /usr/bin/python3 268: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 35# 0x00000000002AADF4 in /usr/bin/python3 268: 36# 0x00000000000AC98C in /usr/bin/python3 268: 37# 0x000000000019A2B8 in /usr/bin/python3 268: 38# _PyObject_MakeTpCall in /usr/bin/python3 268: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 40# 0x00000000002AADF4 in /usr/bin/python3 268: 41# 0x00000000000AC98C in /usr/bin/python3 268: 42# 0x0000000000193854 in /usr/bin/python3 268: 43# 0x0000000000189714 in /usr/bin/python3 268: 44# _PyObject_MakeTpCall in /usr/bin/python3 268: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 46# PyEval_EvalCode in /usr/bin/python3 268: 47# 0x000000000033C338 in /usr/bin/python3 268: 48# 0x000000000033ECB8 in /usr/bin/python3 268: 49# 0x000000000033F214 in /usr/bin/python3 268: 50# 0x000000000037E5E8 in /usr/bin/python3 268: 51# Py_BytesMain in /usr/bin/python3 268: 52# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 268: 53# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 268: 54# _start in /usr/bin/python3 268: ---------- 268: **** 268: 268: .... 268: ---------------------------------------------------------------------- 268: Ran 6 tests in 0.028s 268: 268: OK 261/272 Test #268: pyRanker ............................... Passed 0.31 sec test 269 Start 269: testChemicalFeatures 269: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ChemicalFeatures/testChemicalFeatures 269: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ChemicalFeatures 269: Test timeout computed to be: 7200 269: Randomness seeded to: 134792698 269: =============================================================================== 269: All tests passed (24 assertions in 1 test case) 269: 262/272 Test #269: testChemicalFeatures ................... Passed 0.01 sec test 270 Start 270: pyFeatures 270: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/Wrap/testFeatures.py" 270: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/ChemicalFeatures/Wrap 270: Test timeout computed to be: 7200 270: .. 270: ---------------------------------------------------------------------- 270: Ran 2 tests in 0.001s 270: 270: OK 270: Testing ChemicalFeatures Wrapper code: 263/272 Test #270: pyFeatures ............................. Passed 0.23 sec test 271 Start 271: quickbench 271: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Bench/bench "--benchmark-samples" "1" "--benchmark-warmup-time" "0" 271: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.15/Code/Bench 271: Test timeout computed to be: 7200 158: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 223: ..[14:24:54] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector2 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:24:54] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:24:54] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:24:54] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:24:54] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: .....[14:24:54] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 0 < 0 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ......[14:24:54] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 223: [14:24:54] ERROR: Smiles parse error on line 0 223: [14:24:54] ERROR: Cannot create molecule from : 'c1ccccc' 223: [14:24:54] SMILES Parse Error: extra open parentheses while parsing: C(C 223: [14:24:54] SMILES Parse Error: check for mistakes around position 2: 223: [14:24:54] C(C 223: [14:24:54] ~^ 223: [14:24:54] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 223: [14:24:54] ERROR: Smiles parse error on line 3 223: [14:24:54] ERROR: Cannot create molecule from : 'C(C' 223: [14:24:54] Explicit valence for atom # 1 C, 5, is greater than permitted 223: [14:24:54] ERROR: Could not sanitize molecule on line 6 223: [14:24:54] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 223: [14:24:54] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 223: [14:24:54] ERROR: Smiles parse error on line 0 223: [14:24:54] ERROR: Cannot create molecule from : 'c1ccccc' 223: [14:24:54] SMILES Parse Error: extra open parentheses while parsing: C(C 223: [14:24:54] SMILES Parse Error: check for mistakes around position 2: 223: [14:24:54] C(C 223: [14:24:54] ~^ 223: [14:24:54] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 223: [14:24:54] ERROR: Smiles parse error on line 3 223: [14:24:54] ERROR: Cannot create molecule from : 'C(C' 223: [14:24:54] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC' 223: [14:24:54] ERROR: Smiles parse error on line 6 223: [14:24:54] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC' 223: [14:24:54] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:54] ERROR: Could not sanitize molecule ending on line 21 223: [14:24:54] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:54] ERROR: EOF hit while reading atoms 223: [14:24:54] ERROR: moving to the beginning of the next molecule 223: [14:24:54] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:54] ERROR: Could not sanitize molecule ending on line 21 223: [14:24:54] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:54] ERROR: EOF hit while reading atoms 223: [14:24:54] ERROR: moving to the beginning of the next molecule 223: ....[14:24:54] 223: 223: **** 223: Pre-condition Violation 223: RingInfo not initialized 223: Violation occurred on line 171 in file ./Code/GraphMol/RingInfo.cpp 223: Failed Expression: df_init 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: .................[14:24:54] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 3 < 1 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitGraphMol.so.1 223: 3# boost::python::objects::caller_py_function_impl >, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ....[14:24:54] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: ........................../usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmp7z0qhikg.mrv'>> 223: _warnings.warn(self.warn_message, ResourceWarning) 223: ...[14:24:55] SMILES Parse Error: unclosed ring for input: 'C1CC' 223: .......643 223: ..[14:24:55] WARNING: not removing hydrogen atom without neighbors 223: [14:24:55] WARNING: not removing hydrogen atom with dummy atom neighbors 223: [14:24:55] WARNING: not removing hydrogen atom with wedged bond 223: [14:24:55] WARNING: not removing hydrogen atom without neighbors 223: [14:24:55] WARNING: not removing hydrogen atom with dummy atom neighbors 267: ........... 267: ---------------------------------------------------------------------- 267: Ran 11 tests in 1.683s 267: 267: OK 264/272 Test #267: pySimDivPickers ........................ Passed 1.97 sec test 272 Start 272: pythonProjectTests 272: Test command: /usr/bin/python3 "-m" "pytest" 272: Working Directory: /build/reproducible-path/rdkit-202609.1/Projects 272: Test timeout computed to be: 7200 223: ......[14:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: .[14:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:24:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: ..........[14:24:55] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 223: [14:24:55] SMARTS Parse Error: check for mistakes around position 4: 223: [14:24:55] CCC |$foo;;bar$| ourname 223: [14:24:55] ~~~^ 223: [14:24:55] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 223: .[14:24:55] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 223: [14:24:55] SMILES Parse Error: check for mistakes around position 4: 223: [14:24:55] CCC |$foo;;bar$| ourname 223: [14:24:55] ~~~^ 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 223: ..[14:24:55] SMILES Parse Error: syntax error while parsing: error 223: [14:24:55] SMILES Parse Error: check for mistakes around position 1: 223: [14:24:55] error 223: [14:24:55] ^ 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error' 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd' 223: [14:24:55] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error' 223: [14:24:55] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd' 223: ..........................[14:24:55] SMILES Parse Error: syntax error while parsing: garbage_0 223: [14:24:55] SMILES Parse Error: check for mistakes around position 1: 223: [14:24:55] garbage_0 223: [14:24:55] ^ 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0' 223: [14:24:55] SMILES Parse Error: syntax error while parsing: garbage_2 223: [14:24:55] SMILES Parse Error: check for mistakes around position 1: 223: [14:24:55] garbage_2 223: [14:24:55] ^ 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2' 223: [14:24:55] SMILES Parse Error: syntax error while parsing: garbage_4 223: [14:24:55] SMILES Parse Error: check for mistakes around position 1: 223: [14:24:55] garbage_4 223: [14:24:55] ^ 223: [14:24:55] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4' 223: ............ 223: ---------------------------------------------------------------------- 223: Ran 293 tests in 11.943s 223: 223: OK 223: supplier: 223: supplier: 223: supplier: 265/272 Test #223: pyGraphMolWrap ......................... Passed 12.74 sec 271: Randomness seeded to: 971522457 271: 271: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 271: bench is a Catch2 v3.7.1 host application. 271: Run with -? for options 271: 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumSpiroAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/descriptors.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumSpiroAtoms 1 8 61.384 us 271: 7.7485 us 7.7485 us 7.7485 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumBridgeheadAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/descriptors.cpp:22 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumBridgeheadAtoms 1 6 61.248 us 271: 10.3095 us 10.3095 us 10.3095 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MorganFingerprints::getFingerprint 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/fingerprint.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MorganFingerprints::getFingerprint 1 1 880.403 us 271: 757.729 us 757.729 us 757.729 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: bench_common::nth_random 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/meta.cpp:8 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: bench_common::nth_random 1 29761 29.761 us 271: 1.81906 ns 1.81906 ns 1.81906 ns 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol copy constructor 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol copy constructor 1 1 258.631 us 271: 228.788 us 228.788 us 228.788 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol destructor 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:25 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol destructor 1 1 167.791 us 271: 164.318 us 164.318 us 164.318 us 271: 0 ns 0 ns 0 ns 271: 271: 158: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 271: ------------------------------------------------------------------------------- 271: memory pressure test 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:41 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: memory pressure test 1 1 86.97 us 271: 47.927 us 47.927 us 47.927 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::getNumHeavyAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:63 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::getNumHeavyAtoms 1 71 57.581 us 271: 811.789 ns 811.789 ns 811.789 ns 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::addHs 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::addHs 1 1 782.172 us 271: 732.929 us 732.929 us 732.929 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::FindSSR 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::FindSSR 1 1 864.913 us 271: 836.519 us 836.519 us 836.519 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::getMolFrags 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:35 271: ............................................................................... 271: 272: ============================= test session starts ============================== 272: platform linux -- Python 3.14.10, pytest-9.1.1, pluggy-1.6.0 272: rootdir: /build/reproducible-path/rdkit-202609.1/Projects 272: configfile: pytest.ini 272: collected 12 items 272: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 158: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 271: MolOps::getMolFrags 1 1 2.69615 ms 271: 2.54582 ms 2.54582 ms 2.54582 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolPickler::pickleMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/pickle.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolPickler::pickleMol 1 1 454.062 us 271: 320.608 us 320.608 us 320.608 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolPickler::molFromPickle 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/pickle.cpp:23 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolPickler::molFromPickle 1 1 1.13771 ms 271: 1.01749 ms 1.01749 ms 1.01749 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: SmilesToMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: SmilesToMol 1 1 3.70606 ms 271: 3.53409 ms 3.53409 ms 3.53409 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToSmiles 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToSmiles 1 1 1.96036 ms 271: 1.64552 ms 1.64552 ms 1.64552 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToCXSmiles 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:36 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToCXSmiles 1 1 2.51359 ms 271: 2.32651 ms 2.32651 ms 2.32651 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: Chirality::findPotentialStereo 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:15 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Chirality::findPotentialStereo 1 1 1.49806 ms 271: 2.01422 ms 2.01422 ms 2.01422 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: CIPLabeler::assignCIPLabels 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:36 271: ............................................................................... 271: 158: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 158: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: CIPLabeler::assignCIPLabels 1 1 736.148 ms 271: 711.096 ms 711.096 ms 711.096 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:45 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: legacy=true 1 1 827.152 us 271: 1.62348 ms 1.62348 ms 1.62348 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:45 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: legacy=false 1 1 1.82204 ms 271: 2.18557 ms 2.18557 ms 2.18557 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:62 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch 1 1 280.201 us 271: 189.487 us 189.487 us 189.487 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch RLewis 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:77 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch RLewis 1 1 33.7231 ms 271: 32.9021 ms 32.9021 ms 32.9021 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch patty 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:94 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch patty 1 1 5.87941 ms 271: 5.84347 ms 5.84347 ms 5.84347 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToInchi 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToInchi 1 1 7.64754 ms 271: 6.28991 ms 6.28991 ms 6.28991 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: InchiToInchiKey 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: InchiToInchiKey 1 1 93.021 us 271: 45.177 us 45.177 us 45.177 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: InchiToMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:40 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: InchiToMol 1 1 11.5154 ms 271: 10.9534 ms 10.9534 ms 10.9534 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: =============================================================================== 271: All tests passed (859 assertions in 25 test cases) 271: 266/272 Test #271: quickbench ............................. Passed 4.43 sec 158: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 158: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 158: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 158: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 244: [14:25:03] Explicit valence for atom # 0 Br, 1, is greater than permitted 244: =============================================================================== 244: All tests passed (38410 assertions in 55 test cases) 244: 158: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 267/272 Test #244: molStandardizeCatchTest ................ Passed 16.49 sec 158: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 158: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 158: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 158: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 158: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 158: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 158: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 158: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 158: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 198: .........[14:25:15] Building the conformers of 7 synthons may take some time. 164: =============================================================================== 164: All tests passed (3 assertions in 1 test case) 164: 268/272 Test #164: testDgeomHelpersGH3019-shard-0/1 ....... Passed 153.53 sec 272: DbCLI/UnitTestDbCLI.py ............ [100%] 272: 272: =============================== warnings summary =============================== 272: ../../../../usr/lib/python3.14/importlib/__init__.py:88 272: /usr/lib/python3.14/importlib/__init__.py:88: DeprecationWarning: the Projects.DbCLI.CreateDb module is deprecated 272: return _bootstrap._gcd_import(name[level:], package, level) 272: 272: DbCLI/CreateDb.py:60 272: /build/reproducible-path/rdkit-202609.1/Projects/DbCLI/CreateDb.py:60: DeprecationWarning: the rdkit.Chem.MolDb module is deprecated 272: from rdkit.Chem.MolDb import Loader 272: 272: ../build-python3.15/rdkit/Chem/MolDb/Loader_sa.py:17 272: /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/MolDb/Loader_sa.py:17: MovedIn20Warning: The ``declarative_base()`` function is now available as sqlalchemy.orm.declarative_base(). (deprecated since: 2.0) (Background on SQLAlchemy 2.0 at: https://sqlalche.me/e/b8d9) 272: decBase = declarative_base() 272: 272: ../../../../usr/lib/python3.14/importlib/__init__.py:88 272: /usr/lib/python3.14/importlib/__init__.py:88: DeprecationWarning: the Projects.DbCLI.SearchDb module is deprecated 272: return _bootstrap._gcd_import(name[level:], package, level) 272: 272: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 272: ======================= 12 passed, 4 warnings in 23.74s ======================== 269/272 Test #272: pythonProjectTests ..................... Passed 24.61 sec 198: [14:25:19] Resuming building SynthonSpace shapes. 198: [14:25:19] Building the conformers of 7 synthons may take some time. 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: [14:25:25] Molecule does not have explicit Hs. Consider calling AddHs() 158: =============================================================================== 158: All tests passed (42344 assertions in 11 test cases) 158: 270/272 Test #158: testDistGeomHelpers-shard-2/3 .......... Passed 168.89 sec 198: ....[14:25:31] 198: 198: **** 198: Invariant Violation 198: molzip: bond info not properly setup for bgn atom with label:1 198: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 198: Failed Expression: bond.a 198: ---------- 198: Stacktrace: 198: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 198: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitRDGeneral.so.1 198: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 198: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 198: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitChemTransforms.so.1 198: 5# RDKit::SynthonSpaceSearch::SynthonSet::buildMolecule(std::vector > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 198: 6# RDKit::SynthonSpaceSearch::SynthonSet::buildSampleMolecules(std::vector >, std::allocator > > >, std::allocator >, std::allocator > > > > > const&, unsigned long) const in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 198: 7# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 198: 8# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 198: 9# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/lib/libRDKitSynthonSpaceSearch.so.1 198: 10# RDKit::helpers::readTextFile_helper(RDKit::SynthonSpaceSearch::SynthonSpace&, std::__cxx11::basic_string, std::allocator > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so 198: 11# boost::python::objects::caller_py_function_impl, std::allocator > const&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so 198: 12# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 13# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 14# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 198: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 198: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 198: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 19# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 20# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 21# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 22# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 23# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.15/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 28# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 29# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 30# _PyObject_MakeTpCall in /usr/bin/python3 198: 31# 0x00000000000AAE98 in /usr/bin/python3 198: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 33# 0x00000000002AADF4 in /usr/bin/python3 198: 34# 0x00000000000AADF0 in /usr/bin/python3 198: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 36# 0x00000000002AADF4 in /usr/bin/python3 198: 37# 0x00000000000AC98C in /usr/bin/python3 198: 38# 0x000000000019A2B8 in /usr/bin/python3 198: 39# _PyObject_MakeTpCall in /usr/bin/python3 198: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 41# 0x00000000002AADF4 in /usr/bin/python3 198: 42# 0x00000000000AADF0 in /usr/bin/python3 198: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 44# 0x00000000002AADF4 in /usr/bin/python3 198: 45# 0x00000000000AC98C in /usr/bin/python3 198: 46# 0x000000000019A2B8 in /usr/bin/python3 198: 47# _PyObject_MakeTpCall in /usr/bin/python3 198: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 49# 0x00000000002AADF4 in /usr/bin/python3 198: 50# 0x00000000000AADF0 in /usr/bin/python3 198: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 52# 0x00000000002AADF4 in /usr/bin/python3 198: 53# 0x00000000000AC98C in /usr/bin/python3 198: 54# 0x000000000019A2B8 in /usr/bin/python3 198: 55# _PyObject_MakeTpCall in /usr/bin/python3 198: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 57# 0x00000000002AADF4 in /usr/bin/python3 198: 58# 0x00000000000AC98C in /usr/bin/python3 198: 59# 0x0000000000193854 in /usr/bin/python3 198: 60# 0x0000000000189714 in /usr/bin/python3 198: 61# _PyObject_MakeTpCall in /usr/bin/python3 198: 62# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 63# PyEval_EvalCode in /usr/bin/python3 198: 64# 0x000000000033C338 in /usr/bin/python3 198: 65# 0x000000000033ECB8 in /usr/bin/python3 198: 66# 0x000000000033F214 in /usr/bin/python3 198: 67# 0x000000000037E5E8 in /usr/bin/python3 198: 68# Py_BytesMain in /usr/bin/python3 198: 69# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 198: 70# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 198: 71# _start in /usr/bin/python3 198: ---------- 198: **** 198: 198: [14:25:31] Explicit valence for atom # 4 C, 5, is greater than permitted 165: =============================================================================== 165: All tests passed (3 assertions in 1 test case) 165: 271/272 Test #165: testDgeomHelpersGH3019-shard-1/1 ....... Passed 171.44 sec 198: .[14:25:39] Timed out. 198: [14:25:39] Timed out. 198: .[14:25:39] Building the conformers of 7 synthons may take some time. 198: . 198: ---------------------------------------------------------------------- 198: Ran 18 tests in 88.307s 198: 198: OK 198: Restart num shapes : 3 198: Final num shapes : 7 272/272 Test #198: pySynthonSpaceSearch ................... Passed 88.78 sec 100% tests passed, 0 tests failed out of 272 Total Test time (real) = 211.24 sec make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd build-python3.14 && make -j8 test ARGS\+=--verbose ARGS\+=-j8 make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' Running tests... /usr/bin/ctest --timeout=7200 --verbose -j8 UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202609.1/build-python3.14/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202609.1/build-python3.14/DartConfiguration.tcl Test project /build/reproducible-path/rdkit-202609.1/build-python3.14 Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end Connected to MAKE jobserver test 1 Start 1: testCoordGen 1: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen/testCoordGen 1: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen 1: Test timeout computed to be: 7200 test 2 Start 2: pyCoordGen 2: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/External/CoordGen/Wrap/testCoordGen.py" 2: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/External/CoordGen/Wrap 2: Test timeout computed to be: 7200 test 3 Start 3: testDict 3: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/testDict 3: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral 3: Test timeout computed to be: 7200 test 4 Start 4: testRDValue 4: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/testRDValue 4: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral 4: Test timeout computed to be: 7200 test 5 Start 5: testConcurrentQueue 5: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/testConcurrentQueue 5: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral 5: Test timeout computed to be: 7200 test 6 Start 6: dictTestsCatch 6: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/dictTestsCatch 6: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral 6: Test timeout computed to be: 7200 test 7 Start 7: logTestsCatch 7: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral/logTestsCatch 7: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/RDGeneral 7: Test timeout computed to be: 7200 test 8 Start 8: testDataStructs 8: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/testDataStructs 8: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs 8: Test timeout computed to be: 7200 3: Randomness seeded to: 3765068072 3: static boost any:0.000491 s 4: Randomness seeded to: 1373946046 4: min: -2147483648 -2147483648 4: min: 0 0 4: min: 2.22507e-308 2.22507e-308 4: min: 1.17549e-38 1.17549e-38 4: min: 0 0 4: =============================================================================== 4: All tests passed (79 assertions in 10 test cases) 4: 1/272 Test #4: testRDValue ............................ Passed 0.00 sec 6: Randomness seeded to: 1050569941 6: =============================================================================== 6: All tests passed (40 assertions in 4 test cases) 6: test 9 Start 9: testFPB 9: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/testFPB 9: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs 9: Test timeout computed to be: 7200 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: Randomness seeded to: 1093061316 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] should not be silent 7: [14:25:41] after restore 7: [14:25:41] test warning 7: [14:25:41] should not be silent 2/272 Test #6: dictTestsCatch ......................... Passed 0.00 sec 7: =============================================================================== 7: All tests passed (44 assertions in 4 test cases) 7: test 10 Start 10: testMultiFPB 10: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/testMultiFPB 10: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs 10: Test timeout computed to be: 7200 3: dynamic boost any:0.002359 s 3/272 Test #7: logTestsCatch .......................... Passed 0.00 sec 3: static RDAny:0.00019 s test 11 Start 11: catchDataStructs 11: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/catchDataStructs 11: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs 11: Test timeout computed to be: 7200 3: dynamic RDAny:0.002381 s 3: static RDValue:1e-06 s 3: dynamic RDValue:0 s 8: Randomness seeded to: 3312385905 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 8: except 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 9: Randomness seeded to: 453786940 9: =============================================================================== 9: All tests passed (632 assertions in 12 test cases) 9: 8: except 8: =============================================================================== 8: All tests passed (1057 assertions in 23 test cases) 8: 3: [14:25:41] done: 0.001911 300000 4/272 Test #9: testFPB ................................ Passed 0.01 sec test 12 Start 12: pyBV 12: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testBV.py" 12: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap 12: Test timeout computed to be: 7200 5/272 Test #8: testDataStructs ........................ Passed 0.01 sec test 13 Start 13: pyDiscreteValueVect 13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testDiscreteValueVect.py" 13: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap 13: Test timeout computed to be: 7200 11: Randomness seeded to: 2511513015 11: =============================================================================== 11: All tests passed (12 assertions in 2 test cases) 11: 6/272 Test #11: catchDataStructs ....................... Passed 0.01 sec 3: [14:25:41] done: 0.001863 300000 test 14 Start 14: pyRealValueVect 14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testRealValueVect.py" 14: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap 14: Test timeout computed to be: 7200 10: Randomness seeded to: 2387631762 10: =============================================================================== 10: All tests passed (228 assertions in 7 test cases) 10: 7/272 Test #10: testMultiFPB ........................... Passed 0.01 sec 3: [14:25:41] done: 0.001848 300000 test 15 Start 15: pySparseIntVect 15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testSparseIntVect.py" 15: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap 15: Test timeout computed to be: 7200 1: core 1: RDKit 2D 1: 1: 4 4 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6496 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3926 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4726 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3396 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2048 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.3590 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.6160 0.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 3: [14:25:41] done: 0.006908 300000 3: [14:25:41] done: 0.000321 300000 3: =============================================================================== 3: All tests passed (227 assertions in 10 test cases) 3: 1: templated 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 8/272 Test #3: testDict ............................... Passed 0.02 sec 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.2846 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2790 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5898 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4530 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4476 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5788 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5732 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2956 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3012 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1700 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1590 0.7434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1534 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: test 16 Start 16: pyFPB 16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataStructs/Wrap/testFPB.py" 16: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataStructs/Wrap 16: Test timeout computed to be: 7200 1: templated 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: 1.7868 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6532 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5187 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5180 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6515 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7860 -0.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9195 -0.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0539 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8124 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.6780 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5445 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4101 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.2764 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1421 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0547 0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9211 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 9 10 0 0 0 0 0 0 0 0999 V2000 1: 0.6718 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5374 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5366 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6702 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1954 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1946 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1454 -0.8098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7338 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1466 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 1 1 0 1: 9 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: -0.5657 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4321 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2977 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2969 -1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1625 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4329 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5673 1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5681 2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2975 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2975 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7969 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2991 0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2999 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2513 -0.7362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5609 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5393 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8923 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8381 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2499 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: 0.5360 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4020 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8300 3.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 -0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.5900 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9208 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5682 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8686 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: 1.2134 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3444 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5186 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3856 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: -1.7333 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8661 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8641 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0011 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8659 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8679 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7309 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: 1.2227 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3350 1.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5185 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3902 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2506 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4014 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: test1 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.3628 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5014 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3692 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2334 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1012 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3728 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5086 -0.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3594 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2234 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0912 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0948 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.9554 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 2 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 3 6 2 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 0 1: 10 12 1 0 1: 8 1 1 0 1: M END 1: 1: test2 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: -0.4980 0.7210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0004 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8678 -0.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5020 0.7182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8642 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 2 5 1 0 1: M END 1: 16: ......... 16: ---------------------------------------------------------------------- 16: Ran 9 tests in 0.004s 16: 16: OK 15: .......... 15: ---------------------------------------------------------------------- 15: Ran 10 tests in 0.008s 15: 15: OK 9/272 Test #16: pyFPB .................................. Passed 0.14 sec test 17 Start 17: testTransforms 17: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry/testTransforms 17: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry 17: Test timeout computed to be: 7200 17: Randomness seeded to: 1416440827 17: Pt1: 1 0 0 Pt2: 2 0 0 17: -Pt1: -1 -0 -0 17: tp1: 0 0 0 tp2: 0 0 0 17: tp1: 0 0 0 tp2: 0 0 0 17: tp1: 0 0 3 tp2: 0 0 3 17: npt1: 0 0 3 npt2: 0 0 4 17: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4 17: =============================================================================== 17: All tests passed (158 assertions in 7 test cases) 17: 10/272 Test #17: testTransforms ......................... Passed 0.01 sec test 18 Start 18: testGrid 18: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry/testGrid 18: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry 18: Test timeout computed to be: 7200 1: cyclosporine a 1: RDKit 2D 1: 1: 85 85 0 0 0 0 0 0 0 0999 V2000 1: 1.4840 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6174 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6176 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4860 -2.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4912 -3.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3504 -2.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3352 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1902 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1580 0.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0642 -1.2607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9260 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9144 0.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7766 0.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0008 0.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.8596 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.8162 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2038 1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2560 3.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5280 4.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7128 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8530 5.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7676 4.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0820 5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9744 4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8344 5.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9792 3.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8192 3.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7974 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7998 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7790 3.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8812 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1202 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.4194 2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.0590 0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8626 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8096 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6470 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.9122 -1.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8776 -2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9982 -2.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1382 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9886 -3.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1202 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2526 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6116 -4.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2494 -2.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1228 -5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2584 -5.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6092 -5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2624 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6018 -7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5982 -8.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4624 -8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9906 -5.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8520 -4.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7288 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7098 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6032 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.0646 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7362 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5794 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5618 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4498 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.1628 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7698 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5952 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4896 1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5292 3.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6054 3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7186 2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0328 6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4396 4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4580 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3220 6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5836 6.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2682 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.6630 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.5876 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.5648 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7968 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.6786 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 7.5218 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.7252 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0970 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2220 -2.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 3 2 1 1 1: 3 4 1 0 1: 4 5 2 0 1: 4 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 2 0 1: 8 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 2 0 1: 12 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 16 17 2 0 1: 16 18 1 0 1: 18 19 1 0 1: 19 20 1 0 1: 20 21 2 0 1: 20 22 1 0 1: 22 23 1 0 1: 23 24 1 0 1: 24 25 2 0 1: 24 26 1 0 1: 26 27 1 0 1: 27 28 1 0 1: 28 29 2 0 1: 28 30 1 0 1: 30 31 1 0 1: 31 32 1 0 1: 32 33 2 0 1: 32 34 1 0 1: 34 35 1 0 1: 35 36 1 0 1: 36 37 2 0 1: 36 38 1 0 1: 38 39 1 0 1: 39 40 1 0 1: 40 41 2 0 1: 40 42 1 0 1: 43 42 1 6 1: 43 44 1 0 1: 44 45 2 0 1: 44 46 1 0 1: 43 47 1 0 1: 47 48 1 0 1: 48 49 1 6 1: 48 50 1 0 1: 50 51 1 0 1: 51 52 2 0 1: 52 53 1 0 1: 47 54 1 1 1: 42 55 1 0 1: 39 56 1 6 1: 56 57 1 0 1: 56 58 1 0 1: 38 59 1 0 1: 35 60 1 6 1: 60 61 1 0 1: 61 62 1 0 1: 61 63 1 0 1: 34 64 1 0 1: 31 65 1 6 1: 65 66 1 0 1: 66 67 1 0 1: 66 68 1 0 1: 30 69 1 0 1: 27 70 1 6 1: 23 71 1 6 1: 19 72 1 6 1: 72 73 1 0 1: 73 74 1 0 1: 73 75 1 0 1: 18 76 1 0 1: 15 77 1 6 1: 77 78 1 0 1: 77 79 1 0 1: 11 80 1 6 1: 80 81 1 0 1: 81 82 1 0 1: 81 83 1 0 1: 10 84 1 0 1: 6 85 1 0 1: 46 3 1 0 1: M END 1: 11/272 Test #15: pySparseIntVect ........................ Passed 0.17 sec test 19 Start 19: testRealValueGrid 19: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry/testRealValueGrid 19: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry 19: Test timeout computed to be: 7200 1: single-double 1: RDKit 2D 1: 1: 17 16 0 0 0 0 0 0 0 0999 V2000 1: -6.9282 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.0618 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1962 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.3298 0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4642 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5978 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7322 -0.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8658 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0002 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8662 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7318 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5982 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4638 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3302 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.1958 -0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.0622 0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.9278 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 2 3 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 3 1: 11 12 1 0 1: 12 13 2 3 1: 13 14 1 0 1: 14 15 2 3 1: 15 16 1 0 1: 16 17 1 0 1: M END 1: 1: cis-trans 1: RDKit 2D 1: 1: 10 9 0 0 0 0 0 0 0 0999 V2000 1: -3.6370 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7706 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9050 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.0386 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1730 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6934 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5590 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5582 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.4238 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2902 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 2 0 1: 3 4 1 0 1: 4 5 2 0 1: 5 6 1 0 1: 6 7 2 0 1: 7 8 1 0 1: 8 9 2 0 1: 9 10 1 0 1: M END 1: 1: admntn 1: RDKit 2D 1: 1: 10 12 0 0 0 0 0 0 0 0999 V2000 1: 1.3505 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5267 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4629 -1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.7523 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4741 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4761 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3505 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.0611 0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0643 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1877 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 10 1 0 1: 8 1 1 0 1: 9 4 1 0 1: 10 2 1 0 1: M END 1: 18: Randomness seeded to: 2451731919 18: =============================================================================== 18: All tests passed (79 assertions in 5 test cases) 18: 12/272 Test #18: testGrid ............................... Passed 0.01 sec test 20 Start 20: geometryTestsCatch 20: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry/geometryTestsCatch 20: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry 20: Test timeout computed to be: 7200 1: github 4845 - nan coordinates but no crash 1: RDKit 2D 1: 1: 42 44 0 0 0 0 0 0 0 0999 V2000 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 2 0 1: 4 5 1 0 1: 5 6 3 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 3 0 1: 10 11 1 0 1: 11 12 2 0 1: 12 13 1 0 1: 13 14 3 0 1: 14 15 1 0 1: 15 16 2 0 1: 16 17 1 0 1: 16 18 1 0 1: 12 19 1 0 1: 19 20 2 0 1: 20 21 1 0 1: 20 22 1 0 1: 19 23 1 0 1: 23 24 3 0 1: 24 25 1 0 1: 25 26 1 0 1: 26 27 2 0 1: 27 28 2 0 1: 26 29 1 0 1: 29 30 3 0 1: 8 31 1 0 1: 31 32 2 0 1: 32 33 1 0 1: 32 34 1 0 1: 31 35 1 0 1: 35 36 3 0 1: 36 37 1 0 1: 37 38 2 0 1: 37 39 1 0 1: 39 40 2 0 1: 40 41 1 0 1: 40 42 1 0 1: 39 4 1 0 1: 15 7 1 0 1: 30 11 1 0 1: M END 1: 20: Randomness seeded to: 1205889718 20: =============================================================================== 20: All tests passed (98 assertions in 6 test cases) 20: 13/272 Test #20: geometryTestsCatch ..................... Passed 0.01 sec test 21 Start 21: testPyGeometry 21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/Geometry/Wrap/testGeometry.py" 21: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Geometry/Wrap 21: Test timeout computed to be: 7200 19: Randomness seeded to: 1141788077 19: =============================================================================== 19: All tests passed (52 assertions in 4 test cases) 19: 14/272 Test #19: testRealValueGrid ...................... Passed 0.02 sec test 22 Start 22: testMatrices 22: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/testMatrices 22: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics 22: Test timeout computed to be: 7200 22: Randomness seeded to: 341857549 22: =============================================================================== 22: All tests passed (81 assertions in 4 test cases) 22: 15/272 Test #22: testMatrices ........................... Passed 0.00 sec test 23 Start 23: testConrec 23: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/testConrec 23: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics 23: Test timeout computed to be: 7200 16/272 Test #1: testCoordGen ........................... Passed 0.22 sec test 24 Start 24: testAlignment 24: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Alignment/testAlignment 24: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Alignment 24: Test timeout computed to be: 7200 24: Randomness seeded to: 514376782 24: =============================================================================== 24: All tests passed (26 assertions in 4 test cases) 24: 17/272 Test #24: testAlignment .......................... Passed 0.01 sec test 25 Start 25: pyAlignment 25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/Numerics/Alignment/Wrap/testAlignment.py" 25: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Alignment/Wrap 25: Test timeout computed to be: 7200 23: Randomness seeded to: 3833616856 23: =============================================================================== 23: All tests passed (76 assertions in 3 test cases) 23: 18/272 Test #23: testConrec ............................. Passed 0.02 sec test 26 Start 26: testOptimizer 26: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Optimizer/testOptimizer 26: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Numerics/Optimizer 26: Test timeout computed to be: 7200 26: Randomness seeded to: 2620037429 26: =============================================================================== 26: All tests passed (29 assertions in 3 test cases) 26: 19/272 Test #26: testOptimizer .......................... Passed 0.00 sec test 27 Start 27: ForceFieldsCatch 27: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/ForceFieldsCatch 27: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField 27: Test timeout computed to be: 7200 13: ...... 13: ---------------------------------------------------------------------- 13: Ran 6 tests in 0.107s 13: 13: OK 27: Randomness seeded to: 1815231557 27: =============================================================================== 27: All tests passed (20 assertions in 2 test cases) 27: 20/272 Test #27: ForceFieldsCatch ....................... Passed 0.02 sec test 28 Start 28: testUFFForceField 28: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/UFF/testUFFForceField 28: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/UFF 28: Test timeout computed to be: 7200 28: ------------------------------------- 28: Unit tests for force field basics. 28: done 28: ------------------------------------- 28: Unit tests for basics of UFF bond-stretch terms. 28: done 28: ------------------------------------- 28: Unit tests for UFF bond-stretch terms. 28: done 28: ------------------------------------- 28: Unit tests for basics of UFF angle terms. 28: done 28: ------------------------------------- 28: Unit tests for UFF angle-bend terms. 28: theta = 3.14159; theta0 = 3.14159 28: theta = 2.094395, param1.theta0 = 2.094395 28: done 28: ------------------------------------- 28: Test Simple UFF molecule optimizations. 28: done 28: ------------------------------------- 28: Unit tests for UFF nonbonded terms. 28: done 28: ------------------------------------- 28: Test UFF torsional terms. 28: done 28: ------------------------------------- 28: Test UFF Parameter objects 28: ------------------------------------- 28: Test Simple UFF molecule optimization, part 2. 28: done 28: ------------------------------------- 28: Test UFF Torsion Conflicts. 28: C 0.4783 -0.7477 -0.0753 28: C -0.5465 -0.0176 0.3519 28: C -0.5114 1.4472 0.0870 28: H -1.5201 -0.4838 0.2485 28: H 0.4696 1.8363 0.3367 28: O -1.2618 1.9423 0.6934 28: F -0.7163 1.6298 -0.9622 28: done 28: ------------------------------------- 28: Unit tests for UFF distance constraint terms. 28: done 28: ------------------------------------- 28: Unit tests for all UFF constraint terms. 14: ...... 14: ---------------------------------------------------------------------- 14: Ran 6 tests in 0.114s 14: 14: OK 21/272 Test #13: pyDiscreteValueVect .................... Passed 0.26 sec test 29 Start 29: testMMFFForceField 29: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/MMFF/testMMFFForceField 29: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/MMFF 29: Test timeout computed to be: 7200 29: ------------------------------------- 29: Official MMFF validation suite. 22/272 Test #14: pyRealValueVect ........................ Passed 0.30 sec test 30 Start 30: pyForceFieldConstraints 30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ForceField/Wrap/testConstraints.py" 30: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ForceField/Wrap 30: Test timeout computed to be: 7200 2: .... 2: ---------------------------------------------------------------------- 2: Ran 4 tests in 0.025s 2: 2: OK 28: done 28: ------------------------------------- 28: Unit tests for copying UFF ForceFields. 28: done 28: ------------------------------------- 28: Unit test for UFF butane scan. 23/272 Test #2: pyCoordGen ............................. Passed 0.36 sec test 31 Start 31: testDistGeom 31: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom/testDistGeom 31: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom 31: Test timeout computed to be: 7200 31: Randomness seeded to: 1840155268 31: Rows: 4 Columns: 4 31: 0 1 1 1 31: 1 0 1 1 31: 1 1 0 1 31: 1 1 1 0 31: =============================================================================== 31: All tests passed (28 assertions in 2 test cases) 31: 24/272 Test #31: testDistGeom ........................... Passed 0.01 sec test 32 Start 32: distGeomCatch 32: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom/distGeomCatch 32: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom 32: Test timeout computed to be: 7200 32: Randomness seeded to: 1249496061 32: =============================================================================== 32: All tests passed (36 assertions in 2 test cases) 32: 25/272 Test #32: distGeomCatch .......................... Passed 0.00 sec test 33 Start 33: pyDistGeom 33: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DistGeom/Wrap/rough_test.py" 33: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DistGeom/Wrap 33: Test timeout computed to be: 7200 21: .................... 21: ---------------------------------------------------------------------- 21: Ran 20 tests in 0.046s 21: 21: OK 21: Testing Geometry wrapper 26/272 Test #21: testPyGeometry ......................... Passed 0.22 sec test 34 Start 34: graphmolTest1 34: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 34: Test timeout computed to be: 7200 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 34: Atoms: 34: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 34: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 34: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 34: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 34: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 34: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb: 34: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb: 34: 7 7 N chg: 0 deg: 2 exp: N/A imp: N/A hyb: arom?: 1 query: AtomAtomicNum 34: 8 22 Ti chg: 0 deg: 1 exp: N/A imp: N/A hyb: 34: Bonds: 34: 0 0->1 order: 1 34: 1 1->2 order: 2 34: 2 2->3 order: 1 34: 3 0->4 order: 1 34: 4 5->6 order: 3 34: 5 6->7 order: 1 34: 6 7->8 order: 2 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B378 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B584 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: attempt to add self-bond 34: Violation occurred on line 506 in file ./Code/GraphMol/RWMol.cpp 34: Failed Expression: atomIdx1 != atomIdx2 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B664 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: bond already exists 34: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp 34: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second) 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B6A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: attempt to add self-bond 34: Violation occurred on line 410 in file ./Code/GraphMol/ROMol.cpp 34: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx() 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 34: 3# 0x000000000001B798 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x0000000000013124 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] Explicit valence for atom # 0 B, 4, is greater than permitted 34: [14:25:41] Explicit valence for atom # 0 B, 4, is greater than permitted 34: [14:25:41] 34: 34: **** 34: Post-condition Violation 34: Element 'Xx' not found 34: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 34: Failed Expression: anum > -1 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 3# 0x00000000000450BC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x000000000002897C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 5# 0x0000000000013130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 8# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test github381: thread-safe initialization of the periodic table 34: [14:25:41] done 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test github1041: Segfault for atom with no owner (expect some warnings) 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# 0x00000000000358C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013154 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 192 in file ./Code/GraphMol/Bond.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# 0x000000000003599C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013154 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] done 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test github1041: Segfault for atom with no owner (expect some warnings) 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# 0x00000000000358C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013158 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] 34: 34: **** 34: Pre-condition Violation 34: no owner 34: Violation occurred on line 192 in file ./Code/GraphMol/Bond.h 34: Failed Expression: dp_mol 34: ---------- 34: Stacktrace: 34: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 34: 2# 0x000000000003599C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 3# 0x0000000000013158 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: 4# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 5# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 34: 6# 0x00000000000131D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTest1 34: ---------- 34: **** 34: 34: [14:25:41] done 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test github1453: RWMol.clear() should reset the numBonds count. 34: [14:25:41] done 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test range-based for loops. 34: [14:25:41] done 34: [14:25:41] ------------------------------------- 34: [14:25:41] Test github1642: Atom index type is too low for big molecules. 25: ..... 25: ---------------------------------------------------------------------- 25: Ran 5 tests in 0.002s 25: 25: OK 25: Testing Alignment Wrapper code: 27/272 Test #25: pyAlignment ............................ Passed 0.29 sec test 35 Start 35: graphmolcpTest 35: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolcpTest 35: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 35: Test timeout computed to be: 7200 35: 35: 35: 35: COPY 28/272 Test #35: graphmolcpTest ......................... Passed 0.02 sec test 36 Start 36: graphmolqueryTest 36: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolqueryTest 36: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 36: Test timeout computed to be: 7200 36: [14:25:41] ---------------------- Test1 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test2 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test3 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test4 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test5 36: [14:25:41] Done! 36: [14:25:41] 36: 36: **** 36: Pre-condition Violation 36: Can't expand empty query 36: Violation occurred on line 29 in file ./Code/GraphMol/QueryAtom.cpp 36: Failed Expression: dp_query 36: ---------- 36: Stacktrace: 36: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 36: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 36: 2# RDKit::QueryAtom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 36: 3# 0x00000000000159F8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolqueryTest 36: 4# 0x0000000000010254 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolqueryTest 36: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 36: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 36: 7# 0x00000000000102E0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolqueryTest 36: ---------- 36: **** 36: 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test issue 2892580 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test github issue 53: query molecules not matching [R] 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test queries using qualifiers instead of == 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test extra atom queries 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test extra bond queries 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test num heteroatom neighbor queries 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test atom type queries 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Test Github #2471: dummy atom queries are flagged as complex 36: [14:25:41] Done! 36: [14:25:41] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery() 36: [14:25:41] Done! 29/272 Test #36: graphmolqueryTest ...................... Passed 0.02 sec test 37 Start 37: graphmolMolOpsTest 37: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolMolOpsTest 37: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 37: Test timeout computed to be: 7200 28: done 28: ------------------------------------- 28: Test finite difference gradient check (P(F)(F)F). 28: done 30/272 Test #28: testUFFForceField ...................... Passed 0.34 sec test 38 Start 38: graphmoltestChirality 38: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmoltestChirality 38: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 38: Test timeout computed to be: 7200 37: Randomness seeded to: 254873313 37: 1 1 2 37: 1 1 1 37: 2 1 0.75 37: ------------------------------- 37: path: 2 37: [14:25:41] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 37: [14:25:41] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 37: [14:25:41] Explicit valence for atom # 0 B, 5, is greater than permitted 37: [14:25:41] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:25:41] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:25:41] Explicit valence for atom # 1 C, 5, is greater than permitted 37: [14:25:41] Explicit valence for atom # 1 Si, 7, is greater than permitted 38: -------------------------- 38: -------------------------- 38: C/C=C/C(C)Cl 33: ...... 33: ---------------------------------------------------------------------- 33: Ran 6 tests in 0.001s 33: 33: OK 38: [14:25:41] Conflicting single bond directions around double bond at index 2. 38: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:25:41] Conflicting single bond directions around double bond at index 4. 38: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:25:41] Conflicting single bond directions around double bond at index 15. 38: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:25:41] Conflicting single bond directions around double bond at index 2. 38: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 38: [14:25:41] Conflicting single bond directions around double bond at index 1. 38: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 38: -------------------------------------------------- 31/272 Test #38: graphmoltestChirality .................. Passed 0.07 sec test 39 Start 39: graphmoltestPickler 39: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmoltestPickler 39: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 39: Test timeout computed to be: 7200 32/272 Test #33: pyDistGeom ............................. Passed 0.29 sec test 40 Start 40: graphmoltestPicklerGlobalSetting 40: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmoltestPicklerGlobalSetting 40: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 40: Test timeout computed to be: 7200 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing String Pickle Roundtrips. 37: smi: Cc1ccc(S(=O)(=O)\N=C2/CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 37: [14:25:41] non-ring atom 0 marked aromatic 37: [14:25:41] non-ring atom 0 marked aromatic 37: [14:25:41] non-ring atom 0 marked aromatic 40: [14:25:41] done 33/272 Test #40: graphmoltestPicklerGlobalSetting ....... Passed 0.02 sec test 41 Start 41: graphmolIterTest 41: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolIterTest 41: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 41: Test timeout computed to be: 7200 34/272 Test #41: graphmolIterTest ....................... Passed 0.02 sec test 42 Start 42: hanoiTest 42: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/hanoiTest 42: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 42: Test timeout computed to be: 7200 37: [14:25:41] Conflicting single bond directions around double bond at index 17. 37: [14:25:41] BondStereo set to STEREONONE and single bond directions set to NONE. 37: starting ring finding 37: done 37: starting ring finding 37: done 37: starting ring finding 37: done 37: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C 37: starting sanitization 42: [14:25:41] Testing the hanoi sort 42: [14:25:41] populating vectors 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing reading existing pickle file (v2). 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing combining molecules using pickles. 39: Atoms: 39: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3 39: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 39: Bonds: 39: 0 0->1 order: 1 39: 1 1->2 order: 1 39: 2 2->0 order: 1 39: 3 3->4 order: 1 39: 4 4->5 order: 1 39: 5 5->6 order: 1 39: 6 6->3 order: 1 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing Issue164: Roundtrip Pickle Failure. 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing Issue219: Pickle Failure with Conformations. 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing Issue220: Pickle problems with bond stereochemistry. 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing query serialization. 39: [14:25:41] C=[$(C=O)] 39: [14:25:41] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl] 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing radical handling in pickles. 39: [14:25:41] done 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing sf.net issue 2788233. 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing sf.net issue 3202580. 39: mass! 13.0034 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing sf.net issue 3316407. 39: [14:25:41] done 39: [14:25:41] ------------------------------------- 39: [14:25:41] Testing sf.net issue 3496759. 39: smi match: *C *C 39: smi match: **=* **=* 39: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O 39: smi match: *OS(=O)OC *OS(=O)OC 39: smi match: *S(=O)(=O)OC *S(=O)(=O)OC 39: smi match: O=COC=O O=COC=O 39: smi match: OO OO 39: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 39: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1 39: smi match: nnnOC=O nnnOC=O 39: smi match: *=C=N *=C=N 39: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F 39: smi match: SP(S)=S SP(S)=S 39: smi match: NP(N)(N)=O NP(N)(N)=O 39: smi match: cN=[N+]=[N-] cN=[N+]=[N-] 39: smi match: *CC=O *CC=O 39: smi match: NNC=O NNC=O 39: smi match: * * 39: smi match: C=P C=P 39: smi match: CC(=N)Cl CC(=N)Cl 39: smi match: N=O N=O 39: smi match: ** ** 39: smi match: N=C=N N=C=N 39: smi match: [C-]#[NH+] [C-]#[NH+] 39: smi match: O=CON(C=O)C=O O=CON(C=O)C=O 39: smi match: N#CC[OH] N#CC[OH] 39: smi match: N#CC=O N#CC=O 39: smi match: N#CS(=O)=O N#CS(=O)=O 39: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC 39: smi match: N#CN=N N#CN=N 39: smi match: N=NCC=O N=NCC=O 39: smi match: CCCCCCC CCCCCCC 39: smi match: OCCOCCO OCCOCCO 39: smi match: SS SS 39: smi match: [SH] [SH] 39: smi match: *1CC1 *1CC1 39: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH] 39: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH] 39: smi match: NC(=S)N=N NC(=S)N=N 39: smi match: N#CS N#CS 39: smi match: cC[N+] cC[N+] 39: smi match: C*C=S C*C=S 39: smi match: N[CH2]C#N N[CH2]C#N 39: smi match: O=C1CCO1 O=C1CCO1 39: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH] 39: smi match: O=C1CCN1 O=C1CCN1 39: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1 39: smi match: C=CC=CC=CC=C C=CC=CC=CC=C 39: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1 39: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21 39: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1 39: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1 39: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 39: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2 39: smi match: cN(=O)~O cN(=O)~O 39: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O 39: smi match: N~NC=O N~NC=O 39: smi match: *=N~C *=N~C 39: smi match: CO*(=O)=O CO*(=O)=O 39: smi match: * * 39: smi match: * * 39: smi match: *C=C *C=C 39: smi match: N#CS N#CS 39: smi match: *C=S *C=S 39: smi match: *N *N 39: smi match: *C(=C)C=O *C(=C)C=O 39: smi match: *C#C *C#C 39: smi match: N#CCO N#CCO 39: smi match: O=N(=O)CCO O=N(=O)CCO 39: smi match: N=CS N=CS 39: smi match: O=CNC(O)C=O O=CNC(O)C=O 39: smi match: C=C(C=O)C=O C=C(C=O)C=O 39: smi match: N=CC=O N=CC=O 39: smi match: *C(C=O)C=O *C(C=O)C=O 39: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O 39: smi match: O=CC=CC=O O=CC=CC=O 39: smi match: O=CN(O)C=O O=CN(O)C=O 39: smi match: O=CN(S)C=O O=CN(S)C=O 39: smi match: O=CNC=O O=CNC=O 39: smi match: O=CNN=O O=CNN=O 39: smi match: O=CNNC=O O=CNNC=O 39: smi match: O=CNOC=O O=CNOC=O 39: smi match: O=CS O=CS 39: smi match: O=CSC=S O=CSC=S 39: smi match: S=CS S=CS 39: smi match: C=O C=O 39: smi match: *C=N *C=N 39: smi match: CCCCCCC CCCCCCC 39: smi match: CN=O CN=O 39: smi match: CS(=O)(=O)O CS(=O)(=O)O 39: smi match: O=C1CCO1 O=C1CCO1 39: smi match: C=C(S)[SH]=O C=C(S)[SH]=O 39: smi match: C=CCO C=CCO 39: smi match: C=CC=N C=CC=N 39: smi match: C=CC=O C=CC=O 39: smi match: C=CC(=O)C=C C=CC(=O)C=C 39: smi match: C=CC=S C=CC=S 39: smi match: C=CC(=S)S C=CC(=S)S 39: smi match: *C=C(*)C=C *C=C(*)C=C 39: smi match: C=CC=N C=CC=N 39: smi match: *N(*)C=C *N(*)C=C 39: smi match: C=CN(=O)=O C=CN(=O)=O 39: smi match: C=CN(O)=O C=CN(O)=O 39: smi match: C=CO C=CO 39: smi match: C=COC=O C=COC=O 39: smi match: C=CS C=CS 39: smi match: C=C[SH](=O)=O C=C[SH](=O)=O 39: smi match: C=NCO C=NCO 39: smi match: C=NC=O C=NC=O 39: smi match: C=NN C=NN 39: smi match: C=NN=C C=NN=C 39: smi match: C=NO C=NO 39: smi match: C=NOC=O C=NOC=O 39: smi match: C=N=O C=N=O 39: smi match: N#CS N#CS 39: smi match: *CN=O *CN=O 39: smi match: NCN NCN 39: smi match: ON=CCN=O ON=CCN=O 39: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O 39: smi match: N=C(N)S N=C(N)S 39: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1 39: smi match: NC=S NC=S 39: smi match: NC(N)=S NC(N)=S 39: smi match: C=CN C=CN 39: smi match: NOC=O NOC=O 39: smi match: C1CN1 C1CN1 39: smi match: O=C1NNNN1 O=C1NNNN1 39: smi match: N=C(N)C(=N)N N=C(N)C(=N)N 39: smi match: N=C(N)O N=C(N)O 39: smi match: N=C(N)C(=N)S N=C(N)C(=N)S 39: smi match: *C=N *C=N 39: smi match: N=CC=O N=CC=O 39: smi match: N=CS N=CS 39: smi match: N=C=N N=C=N 39: smi match: N=C=O N=C=O 39: smi match: N=C=S N=C=S 39: smi match: NOC(=O)O NOC(=O)O 39: smi match: *C(O)=S *C(O)=S 39: smi match: C=CO C=CO 39: smi match: ON=CC=NO ON=CC=NO 39: smi match: *C[SH](=O)=O *C[SH](=O)=O 39: smi match: OS(=O)=O OS(=O)=O 39: smi match: N#CS N#CS 39: smi match: C=C(S)S C=C(S)S 39: smi match: N=C(N)S N=C(N)S 39: smi match: N=C(S)S N=C(S)S 39: smi match: NC(=S)S NC(=S)S 39: smi match: O=CNS O=CNS 39: smi match: S S 39: smi match: [SiH4] [SiH4] 39: smi match: NS NS 39: smi match: NCN NCN 39: smi match: cC(c)(O)O cC(c)(O)O 39: smi match: *C(c)O *C(c)O 39: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O 39: smi match: cS(=O)(=O)O cS(=O)(=O)O 39: smi match: *c1ccccn1=O *c1ccccn1=O 39: smi match: *c1ccccn1 *c1ccccn1 39: smi match: *c1nccccn1 *c1nccccn1 39: smi match: C1COCOC1 C1COCOC1 39: smi match: C=S C=S 39: smi match: c=S c=S 39: smi match: S=CS S=CS 39: smi match: C=CN(=O)=O C=CN(=O)=O 39: smi match: C=CN(=O)O C=CN(=O)O 39: smi match: N=CC=O N=CC=O 39: smi match: C=CS C=CS 39: smi match: SC(S)(S)S SC(S)(S)S 39: smi match: OS(O)(O)O OS(O)(O)O 39: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O 39: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O 39: smi match: N#CS N#CS 39: smi match: C=NO C=NO 39: smi match: C=N[SH]=N C=N[SH]=N 39: smi match: O=C(S)S O=C(S)S 39: smi match: N=C(S)S N=C(S)S 39: smi match: N=C(=N)S N=C(=N)S 39: smi match: O=N=O O=N=O 39: smi match: O=NO O=NO 39: smi match: ONO ONO 39: smi match: C1SCS1 C1SCS1 39: smi match: N=C=S N=C=S 39: smi match: N=C=N N=C=N 39: smi match: C1N=N1 C1N=N1 39: smi match: *CS *CS 39: smi match: SC(S)=C(S)S SC(S)=C(S)S 39: smi match: N=CC=NO N=CC=NO 39: smi match: N#CCC#N N#CCC#N 39: smi match: CON=O CON=O 39: smi match: C=CN C=CN 39: smi match: C=N[SH](=O)=O C=N[SH](=O)=O 39: smi match: NN=O NN=O 39: smi match: NC(=O)S NC(=O)S 39: smi match: N#CS N#CS 39: smi match: NC(=O)C(N)=O NC(=O)C(N)=O 39: smi match: c=N c=N 39: smi match: C1COCO1 C1COCO1 39: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O 39: smi match: O=CC=O O=CC=O 39: smi match: O=CNOC=O O=CNOC=O 39: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1 39: smi match: ONO ONO 39: smi match: ON(~O)~O ON(~O)~O 39: smi match: OC1COC(O)C1 OC1COC(O)C1 39: smi match: OC1CCOC1O OC1CCOC1O 39: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1 39: smi match: N=[N+]=N N=[N+]=N 39: smi match: N#CN N#CN 39: smi match: C=NN=C C=NN=C 39: smi match: *CCN(C)C *CCN(C)C 39: smi match: CNN CNN 39: smi match: *CC *CC 39: smi match: OCS OCS 39: smi match: C1NO1 C1NO1 39: smi match: COS(C)(=O)=O COS(C)(=O)=O 39: smi match: C1CO1 C1CO1 39: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1 39: smi match: *C(*)=C *C(*)=C 39: smi match: N#[NH+] N#[NH+] 39: smi match: C#NO C#NO 39: smi match: OOO OOO 39: smi match: OO OO 39: smi match: O~Cl(~O)~O O~Cl(~O)~O 39: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O 39: smi match: [OH]~C(~O)~O [OH]~C(~O)~O 39: smi match: *N *N 39: smi match: *P *P 39: smi match: *S *S 39: smi match: *C(*)(*)C=C *C(*)(*)C=C 39: smi match: *C(*)(*)C=C *C(*)(*)C=C 39: smi match: *C(*)C=C *C(*)C=C 39: smi match: *CC=C *CC=C 39: smi match: CN=C=O CN=C=O 39: smi match: CN=C=S CN=C=S 39: smi match: *C=O *C=O 39: smi match: N=N N=N 39: smi match: SS SS 39: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1 39: smi match: CSC(C)=N CSC(C)=N 39: smi match: COC(C)=N COC(C)=N 39: smi match: C=C=C C=C=C 39: smi match: *C(=O)OC=O *C(=O)OC=O 39: smi match: C=CC#N C=CC#N 39: smi match: C=CC=O C=CC=O 39: smi match: CC=CC(C)=O CC=CC(C)=O 39: smi match: CC=CC(=O)OCC CC=CC(=O)OCC 39: smi match: C#CC#N C#CC#N 39: smi match: C#CC=O C#CC=O 39: smi match: C#CC(=O)OCC C#CC(=O)OCC 39: smi match: C#CC=O C#CC=O 39: smi match: *C(=O)C#C *C(=O)C#C 39: smi match: C=CC=O C=CC=O 39: smi match: *C(*)(*)O *C(*)(*)O 39: smi match: COS(O)(=O)=O COS(O)(=O)=O 39: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-] 39: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-] 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: *C(*)C=O *C(*)C=O 39: smi match: *CC=O *CC=O 39: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 39: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 39: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O 39: smi match: *C[SH](=O)=O *C[SH](=O)=O 39: smi match: * * 39: smi match: *1CC1 *1CC1 39: smi match: O=COC=O O=COC=O 39: smi match: N=C=O N=C=O 39: smi match: N=C=S N=C=S 39: smi match: O~O O~O 39: smi match: N~[SiH4] N~[SiH4] 39: smi match: *P *P 39: smi match: C=N=N C=N=N 39: smi match: *N#[NH+] *N#[NH+] 39: smi match: *S* *S* 39: smi match: ** ** 39: smi match: *CC* *CC* 39: smi match: *O[SiH3] *O[SiH3] 39: smi match: *OS(*)~O *OS(*)~O 39: smi match: N~N~O N~N~O 39: smi match: *N(~O)(~O)~O *N(~O)(~O)~O 39: smi match: *[N+](=C)[O-] *[N+](=C)[O-] 39: smi match: * * 39: smi match: *C(*)NCN(*)* *C(*)NCN(*)* 39: smi match: *OCC#N *OCC#N 39: smi match: **C=C **C=C 39: smi match: C=C[O-] C=C[O-] 39: smi match: C=CO C=CO 39: smi match: * * 39: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O 39: smi match: O=COn1ccnc1 O=COn1ccnc1 39: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 39: smi match: CC(C)(C)S CC(C)(C)S 39: smi match: [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C 39: smi match: [CH]=O [CH]=O 39: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C 39: smi match: SS SS 39: smi match: [SH] [SH] 39: smi match: *C* *C* 39: smi match: * * 39: smi match: C[nH3+] C[nH3+] 39: smi match: cC(=N)[NH2] cC(=N)[NH2] 39: smi match: O=CN[OH] O=CN[OH] 39: smi match: NN NN 39: smi match: * * 39: smi match: *OP(=O)O* *OP(=O)O* 39: smi match: * * 39: smi match: * * 39: smi match: * * 39: smi match: *N=C(*)* *N=C(*)* 39: smi match: *C(*)(*)C=O *C(*)(*)C=O 39: smi match: CSC=O CSC=O 39: smi match: * * 39: smi match: O=CCl O=CCl 39: smi match: *** *** 39: smi match: *C=O *C=O 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[OH] C[OH] 39: smi match: C[CH]=O C[CH]=O 39: smi match: *=* *=* 39: smi match: *C *C 39: smi match: C#C C#C 39: smi match: *[CH]C=C *[CH]C=C 39: smi match: cCC(=O)[OH] cCC(=O)[OH] 39: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH] 39: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH] 39: smi match: C=CC(=O)[OH] C=CC(=O)[OH] 39: smi match: N#CC(=O)[OH] N#CC(=O)[OH] 39: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O 39: smi match: *N(*)C*=O *N(*)C*=O 39: smi match: O=*C[OH] O=*C[OH] 39: smi match: *=C*=O *=C*=O 39: smi match: *=CC#N *=CC#N 39: smi match: *C[OH] *C[OH] 39: smi match: ** ** 39: smi match: *C[OH] *C[OH] 39: smi match: *C(*)=O *C(*)=O 39: smi match: * * 39: smi match: *CC(=O)[OH] *CC(=O)[OH] 39: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O 39: smi match: *c *c 39: smi match: CN(C)c CN(C)c 39: smi match: c c 39: smi match: *c *c 39: smi match: *c *c 39: smi match: **:*cF **:*cF 39: smi match: cB([OH])[OH] cB([OH])[OH] 39: smi match: N~N~N N~N~N 39: smi match: *N=N* *N=N* 39: smi match: *CC[OH] *CC[OH] 39: smi match: *CC[OH] *CC[OH] 39: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH] 39: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH] 39: smi match: *CCC(=O)[OH] *CCC(=O)[OH] 39: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH] 39: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O 39: smi match: *OC(*)=O *OC(*)=O 39: smi match: *C(=O)[OH] *C(=O)[OH] 39: smi match: O=C[OH] O=C[OH] 39: smi match: *OC(=O)O* *OC(=O)O* 42: [14:25:41] sorting (hanoi sort) vectors 39: smi match: * * 39: smi match: *OC(=O)Cl *OC(=O)Cl 39: smi match: *C#N *C#N 39: smi match: NCC(=O)NCC=O NCC(=O)NCC=O 39: smi match: SS SS 39: smi match: * * 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: *=* *=* 39: smi match: C1CO1 C1CO1 39: smi match: *OC(*)=O *OC(*)=O 39: smi match: * * 39: smi match: *O*[OH] *O*[OH] 39: smi match: COC(C)(C)O COC(C)(C)O 39: smi match: *[OH] *[OH] 39: smi match: ** ** 39: smi match: C=N[NH2] C=N[NH2] 39: smi match: C=NC=O C=NC=O 39: smi match: * * 39: smi match: C#NC C#NC 39: smi match: CN=C=O CN=C=O 39: smi match: CN=C=S CN=C=S 39: smi match: *OC(*)(*)O* *OC(*)(*)O* 39: smi match: *C(*)=O *C(*)=O 39: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C 39: smi match: *~*=O *~*=O 39: smi match: *~*=O *~*=O 39: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH] 39: smi match: * * 39: smi match: *C#N *C#N 39: smi match: *N(=O)~O *N(=O)~O 39: smi match: N N 39: smi match: OC(=O)C(O)=O OC(=O)C(O)=O 39: smi match: C=NO C=NO 39: smi match: O~O O~O 39: smi match: c[OH] c[OH] 39: smi match: O=P(~[OH])~O O=P(~[OH])~O 39: smi match: CO~P(=O)~O CO~P(=O)~O 39: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O 39: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O 39: smi match: O=P(~O)~O O=P(~O)~O 39: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O 39: smi match: C[NH2] C[NH2] 39: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1 39: smi match: * * 39: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 39: smi match: CS(C)~O CS(C)~O 39: smi match: CS(C)(~O)~O CS(C)(~O)~O 39: smi match: CS(N)(~O)~O CS(N)(~O)~O 39: smi match: CS([OH])(~O)~O CS([OH])(~O)~O 39: smi match: COS(C)(~O)~O COS(C)(~O)~O 39: smi match: *S(C)(~O)~O *S(C)(~O)~O 39: smi match: CN(C)C CN(C)C 39: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1 39: smi match: *C(*)=S *C(*)=S 39: smi match: *OC(*)=S *OC(*)=S 39: smi match: * * 39: smi match: C[SH] C[SH] 39: smi match: c[SH] c[SH] 39: smi match: NC(N)=S NC(N)=S 39: smi match: * * 39: smi match: ***** ***** 39: smi match: NC(N)=O NC(N)=O 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing sf.net issue 280. 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing sf.net issue 285. 39: [14:25:42] done 39: [14:25:42] done with testAtomResidues 39: [14:25:42] done 39: [14:25:42] done 39: [14:25:42] done 39: [14:25:42] done 39: [14:25:42] done 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing Github2441: Add RDProps interface to Conformers. 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing Issue2510: Pickle Confs as double. 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing Github #2465: Negative atom-map numbers cause depickling to fail. 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing loading pickled mols with conformers 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing conformer reading/writing options 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing property reading options 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing property reading options 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing boost::serialization integration 39: [14:25:42] done 39: [14:25:42] ------------------------------------- 39: [14:25:42] Testing github issue 6036 35/272 Test #39: graphmoltestPickler .................... Passed 0.26 sec test 43 Start 43: graphmolMemTest1 43: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolMemTest1 43: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 43: Test timeout computed to be: 7200 36/272 Test #43: graphmolMemTest1 ....................... Passed 0.01 sec test 44 Start 44: resMolSupplierTest 44: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/resMolSupplierTest 44: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 44: Test timeout computed to be: 7200 30: ...[14:25:42] Molecule does not have explicit Hs. Consider calling AddHs() 30: ......[14:25:42] Molecule does not have explicit Hs. Consider calling AddHs() 30: ... 30: ---------------------------------------------------------------------- 30: Ran 12 tests in 0.872s 30: 30: OK 37/272 Test #30: pyForceFieldConstraints ................ Passed 1.27 sec test 45 Start 45: molBundleTest 45: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/molBundleTest 45: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 45: Test timeout computed to be: 7200 38/272 Test #45: molBundleTest .......................... Passed 0.02 sec test 46 Start 46: testSGroup 46: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testSGroup 46: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 46: Test timeout computed to be: 7200 39/272 Test #46: testSGroup ............................. Passed 0.03 sec test 47 Start 47: test-valgrind 47: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/test-valgrind 47: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 47: Test timeout computed to be: 7200 40/272 Test #47: test-valgrind .......................... Passed 0.02 sec test 48 Start 48: graphmolTestsCatch 48: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 48: Test timeout computed to be: 7200 48: Randomness seeded to: 102675452 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 1 N, 6, is greater than permitted 48: [14:25:42] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 1 N, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 2 O, 3, is greater than permitted 48: [14:25:42] Explicit valence for atom # 2 O, 3, is greater than permitted 48: [14:25:42] non-ring atom 2 marked aromatic 48: [14:25:42] non-ring atom 2 marked aromatic 48: [14:25:42] non-ring atom 2 marked aromatic 48: [14:25:42] non-ring atom 2 marked aromatic 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 1 2 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 48: [14:25:42] Explicit valence for atom # 1 O, 3, is greater than permitted 48: [14:25:42] Explicit valence for atom # 4 F, 2, is greater than permitted 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 6 7 8 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 6 7 8 48: [14:25:42] Explicit valence for atom # 1 C, 5, is greater than permitted 48: [14:25:42] WARNING: not removing hydrogen atom with dummy atom neighbors 48: [14:25:42] WARNING: not removing hydrogen atom with dummy atom neighbors 48: [14:25:42] WARNING: not removing hydrogen atom with wedged bond 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] Unreasonable formal charge on atom # 0. 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 174 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008EFBC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F034 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 175 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F0B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 357 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F174 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F1F0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 358 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F274 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no atom 48: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: at 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8F0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: no owner 48: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 48: Failed Expression: dp_mol 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# 0x00000000000BE6C8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 4# 0x000000000008F3A0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 13# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: atom not associated with this molecule 48: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: &at->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F424 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: null atom passed in 48: Violation occurred on line 379 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: atom_pin 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8D4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: cannot take ownership of an atom which already has an owner 48: Violation occurred on line 380 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F580 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: cannot take ownership of an bond which already has an owner 48: Violation occurred on line 405 in file ./Code/GraphMol/ROMol.cpp 48: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000008F8A0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] WARNING: not removing hydrogen atom without neighbors 48: [14:25:42] Explicit valence for atom # 1 F greater than permitted 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: plain atoms have no Query 48: Violation occurred on line 701 in file ./Code/GraphMol/Atom.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Atom::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003FCC8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: plain atoms have no Query 48: Violation occurred on line 706 in file ./Code/GraphMol/Atom.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Atom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003FD6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: plain bonds have no Query 48: Violation occurred on line 218 in file ./Code/GraphMol/Bond.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Bond::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003F8AC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] 48: 48: **** 48: Pre-condition Violation 48: plain bonds have no query 48: Violation occurred on line 239 in file ./Code/GraphMol/Bond.cpp 48: Failed Expression: 0 48: ---------- 48: Stacktrace: 48: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 48: 2# RDKit::Bond::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 48: 3# 0x000000000003F94C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 4# 0x00000000000E27CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 5# 0x00000000000E3E80 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 6# 0x00000000000E42D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 7# 0x00000000000B5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 8# 0x00000000000B62EC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 9# 0x000000000002DFB8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 48: 12# 0x000000000002E040 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolTestsCatch 48: ---------- 48: **** 48: 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:25:42] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:25:42] Unusual charge on atom 0 number of radical electrons set to zero 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] Explicit valence for atom # 1 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 3 N, 4, is greater than permitted 48: [14:25:42] Explicit valence for atom # 15 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 11 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 9 C, 5, is greater than permitted 48: [14:25:42] Explicit valence for atom # 9 C, 6, is greater than permitted 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 7 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 7 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:25:42] Can't kekulize mol. Unkekulized atoms: 3 7 48: [14:25:42] Explicit valence for atom # 1 O, 3, is greater than permitted 48: [14:25:42] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 48: [14:25:42] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this attachment point. 48: [14:25:42] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom 48: [14:25:42] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] non-ring atom 0 marked aromatic 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 48: [14:25:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 48: [14:25:43] Explicit valence for atom # 0 Al, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 Al, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Si, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Si, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 P, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 P, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 P, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 P, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 As, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 As, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 As, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 As, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 Sb, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 Sb, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 Sb, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 0 Sb, 7, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Bi, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Bi, 6, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Bi, 8, is greater than permitted 48: [14:25:43] Explicit valence for atom # 1 Bi, 8, is greater than permitted 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 48: [14:25:43] Can't kekulize mol. Unkekulized atoms: 2 3 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 48: =============================================================================== 48: All tests passed (4651 assertions in 117 test cases) 48: 41/272 Test #48: graphmolTestsCatch ..................... Passed 0.43 sec test 49 Start 49: graphmolOrganometallicsCatch 49: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolOrganometallicsCatch 49: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 49: Test timeout computed to be: 7200 49: Randomness seeded to: 3605761762 49: =============================================================================== 49: All tests passed (62 assertions in 6 test cases) 49: 42/272 Test #49: graphmolOrganometallicsCatch ........... Passed 0.05 sec test 50 Start 50: graphmolSGroupCatch 50: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolSGroupCatch 50: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 50: Test timeout computed to be: 7200 50: Randomness seeded to: 99911080 50: =============================================================================== 50: All tests passed (136 assertions in 8 test cases) 50: 43/272 Test #50: graphmolSGroupCatch .................... Passed 0.03 sec test 51 Start 51: graphmolAdjustQueryCatch 51: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/graphmolAdjustQueryCatch 51: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 51: Test timeout computed to be: 7200 51: Randomness seeded to: 1802613956 51: =============================================================================== 51: All tests passed (332 assertions in 12 test cases) 51: 44/272 Test #51: graphmolAdjustQueryCatch ............... Passed 0.05 sec test 52 Start 52: chiralityTestsCatch 52: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/chiralityTestsCatch 52: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 52: Test timeout computed to be: 7200 52: Randomness seeded to: 557976513 52: [14:25:43] unable to set wavy bonds for double bonds: 3 52: [14:25:43] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 52: [14:25:43] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 52: [14:25:43] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 52: [14:25:43] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 52: [14:25:43] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored 52: [14:25:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:25:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:25:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: [14:25:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 52: =============================================================================== 52: All tests passed (2505 assertions in 88 test cases) 52: 45/272 Test #52: chiralityTestsCatch .................... Passed 0.13 sec test 53 Start 53: canonTestsCatch 53: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/canonTestsCatch 53: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 53: Test timeout computed to be: 7200 37: done 37: starting sanitization 37: done 37: starting ring finding 37: done 37: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 37: [14:25:43] WARNING: not removing hydrogen atom with dummy atom neighbors 37: [14:25:43] Explicit valence for atom # 0 N, 4, is greater than permitted 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:25:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 37: [14:25:43] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:25:43] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:25:43] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:25:43] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: [14:25:43] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 37: 37: [14:25:43] WARNING: not removing hydrogen atom with dummy atom neighbors 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 37: [14:25:44] Maximum BFS search size exceeded. 37: This is likely due to a highly symmetric fused ring system. 37: F/C=C/Cl 37: [H]/C(F)=C(/[H])Cl 37: F/C=C/Cl 37: F/C=C/Cl 37: C/C(F)=C(/C)Cl 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 37: =============================================================================== 37: All tests passed (5707 assertions in 115 test cases) 37: 46/272 Test #37: graphmolMolOpsTest ..................... Passed 2.61 sec test 54 Start 54: moliteratorTestsCatch 54: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/moliteratorTestsCatch 54: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 54: Test timeout computed to be: 7200 54: Randomness seeded to: 2605380795 54: =============================================================================== 54: All tests passed (37 assertions in 9 test cases) 54: 47/272 Test #54: moliteratorTestsCatch .................. Passed 0.02 sec test 55 Start 55: molrangesTestsCatch 55: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/molrangesTestsCatch 55: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 55: Test timeout computed to be: 7200 55: Randomness seeded to: 1428572891 55: =============================================================================== 55: All tests passed (20 assertions in 2 test cases) 55: 48/272 Test #55: molrangesTestsCatch .................... Passed 0.01 sec test 56 Start 56: queryTestsCatch 56: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/queryTestsCatch 56: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 56: Test timeout computed to be: 7200 56: Randomness seeded to: 340341022 56: =============================================================================== 56: All tests passed (57 assertions in 5 test cases) 56: 49/272 Test #56: queryTestsCatch ........................ Passed 0.02 sec test 57 Start 57: molbundleTestsCatch 57: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/molbundleTestsCatch 57: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 57: Test timeout computed to be: 7200 57: Randomness seeded to: 713138157 57: =============================================================================== 57: All tests passed (6 assertions in 1 test case) 57: 50/272 Test #57: molbundleTestsCatch .................... Passed 0.02 sec test 58 Start 58: pickleTestsCatch 58: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/pickleTestsCatch 58: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 58: Test timeout computed to be: 7200 58: Randomness seeded to: 1224210643 58: =============================================================================== 58: All tests passed (47 assertions in 5 test cases) 58: 51/272 Test #58: pickleTestsCatch ....................... Passed 0.10 sec test 59 Start 59: tableTestsCatch 59: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/tableTestsCatch 59: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 59: Test timeout computed to be: 7200 59: Randomness seeded to: 704235654 59: =============================================================================== 59: All tests passed (7 assertions in 2 test cases) 59: 52/272 Test #59: tableTestsCatch ........................ Passed 0.02 sec test 60 Start 60: molopsTestsCatch 60: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/molopsTestsCatch 60: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 60: Test timeout computed to be: 7200 60: Randomness seeded to: 1302349946 60: =============================================================================== 60: All tests passed (592 assertions in 16 test cases) 60: 53/272 Test #60: molopsTestsCatch ....................... Passed 0.04 sec test 61 Start 61: testMacroMol 61: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 61: Test timeout computed to be: 7200 61: Randomness seeded to: 858282464 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 168 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(beginAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x00000000000193C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: end atom is a macro atom 61: Violation occurred on line 169 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(endAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019468 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 168 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(beginAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019508 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: end atom is a macro atom 61: Violation occurred on line 169 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(endAtom) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Atom*, RDKit::Atom*, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x0000000000019584 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: begin atom is a macro atom 61: Violation occurred on line 175 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: !isMacroAtom(this->getAtomWithIdx(bond->getBeginAtomIdx())) 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001962C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: local template library is null 61: Violation occurred on line 32 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: dp_localTemplateLibrary 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::MacroMol(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001B950 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: local template library is null 61: Violation occurred on line 52 in file ./Code/GraphMol/MacroMol.cpp 61: Failed Expression: newTemplateLibrary 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMol::setLocalTemplateLibrary(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001B7F0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: [14:25:44] 61: 61: **** 61: Pre-condition Violation 61: cannot add a null MacroMolTemplate 61: Violation occurred on line 209 in file ./Code/GraphMol/MacroMolTemplate.cpp 61: Failed Expression: macroMolTemplate 61: ---------- 61: Stacktrace: 61: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 61: 2# RDKit::MacroMolTemplateLibrary::addTemplate(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 61: 3# 0x000000000001A130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 4# 0x0000000000054A8C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 5# 0x0000000000056140 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 6# 0x0000000000056598 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 7# 0x0000000000027AC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 8# 0x000000000002802C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 9# 0x00000000000144B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 61: 12# 0x0000000000014540 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMol 61: ---------- 61: **** 61: 61: =============================================================================== 61: All tests passed (116 assertions in 10 test cases) 61: 54/272 Test #61: testMacroMol ........................... Passed 0.01 sec test 62 Start 62: ringSystemsTest 62: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ringSystemsTest 62: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 62: Test timeout computed to be: 7200 12: ................... 12: ---------------------------------------------------------------------- 12: Ran 19 tests in 3.388s 12: 12: OK 55/272 Test #12: pyBV ................................... Passed 3.67 sec test 63 Start 63: testMacroMolTemplate 63: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol 63: Test timeout computed to be: 7200 63: Randomness seeded to: 1560376859 63: [14:25:44] 63: 63: **** 63: Pre-condition Violation 63: main group has already been set 63: Violation occurred on line 109 in file ./Code/GraphMol/MacroMolTemplate.cpp 63: Failed Expression: !d_mainGroupSet 63: ---------- 63: Stacktrace: 63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 63: 2# RDKit::MacroMolTemplateBuilder::setMainGroup(std::vector >&&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 63: 3# 0x000000000001B2AC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 4# 0x000000000005742C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 5# 0x0000000000058AE0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 6# 0x0000000000058F38 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 7# 0x000000000002A844 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 8# 0x000000000002ADAC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 9# 0x0000000000015EA8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 12# 0x0000000000015F30 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: ---------- 63: **** 63: 63: [14:25:44] 63: 63: **** 63: Pre-condition Violation 63: cannot add a null MacroMolTemplate 63: Violation occurred on line 209 in file ./Code/GraphMol/MacroMolTemplate.cpp 63: Failed Expression: macroMolTemplate 63: ---------- 63: Stacktrace: 63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 63: 2# RDKit::MacroMolTemplateLibrary::addTemplate(std::unique_ptr >) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 63: 3# 0x0000000000019E48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 4# 0x000000000005742C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 5# 0x0000000000058AE0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 6# 0x0000000000058F38 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 7# 0x000000000002A844 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 8# 0x000000000002ADAC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 9# 0x0000000000015EA8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 63: 12# 0x0000000000015F30 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/testMacroMolTemplate 63: ---------- 63: **** 63: 63: =============================================================================== 63: All tests passed (52 assertions in 8 test cases) 63: 56/272 Test #63: testMacroMolTemplate ................... Passed 0.02 sec test 64 Start 64: smiTest1 64: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTest1 64: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 64: Test timeout computed to be: 7200 64: Randomness seeded to: 1186317254 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] WARNING: not removing hydrogen atom without neighbors 64: [14:25:44] Invalid chiral specification on atom 0 64: [14:25:44] Invalid chiral specification on atom 0 64: [14:25:44] Invalid chiral specification on atom 0 64: [14:25:44] Invalid chiral specification on atom 0 64: [14:25:44] Invalid chiral specification on atom 0 62: Randomness seeded to: 3797487887 62: Time taken for 1000 calls to symmetrizeSSSR (new): 0.373004 seconds. 62: mol has 70 rings 64: [14:25:44] SMILES Parse Error: unclosed ring for input: 'C1.C11.C' 64: [14:25:44] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC' 64: [14:25:44] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:25:44] SMILES Parse Error: check for mistakes around position 4: 64: [14:25:44] c%()ccccc%() 64: [14:25:44] ~~~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:25:44] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:25:44] SMILES Parse Error: check for mistakes around position 9: 64: [14:25:44] c%(100000)ccccc%(100000) 64: [14:25:44] ~~~~~~~~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:25:44] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111' 64: [14:25:44] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1' 64: [14:25:44] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMILES Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMARTS Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMILES Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMARTS Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMILES Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:44] SMARTS Parse Error: check for mistakes around position 14: 64: [14:25:44] COc(c1)cccc1C# 64: [14:25:44] ~~~~~~~~~~~~~^ 64: [14:25:44] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:44] SMILES Parse Error: extra close parentheses while parsing: C) 64: [14:25:44] SMILES Parse Error: check for mistakes around position 2: 64: [14:25:44] C) 64: [14:25:44] ~^ 64: [14:25:44] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: CC=(CO)C 64: [14:25:45] SMILES Parse Error: check for mistakes around position 4: 64: [14:25:45] CC=(CO)C 64: [14:25:45] ~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'CC=(CO)C' for input: 'CC=(CO)C' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: CC=(CO)C 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 4: 64: [14:25:45] CC=(CO)C 64: [14:25:45] ~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'CC=(CO)C' for input: 'CC=(CO)C' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: baz 64: [14:25:45] SMILES Parse Error: check for mistakes around position 2: 64: [14:25:45] baz 64: [14:25:45] ~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'baz' for input: 'baz' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: baz 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 3: 64: [14:25:45] baz 64: [14:25:45] ~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'baz' for input: 'baz' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: fff 64: [14:25:45] SMILES Parse Error: check for mistakes around position 1: 64: [14:25:45] fff 64: [14:25:45] ^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'fff' for input: 'fff' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: fff 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 1: 64: [14:25:45] fff 64: [14:25:45] ^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'fff' for input: 'fff' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: C+0 64: [14:25:45] SMILES Parse Error: check for mistakes around position 2: 64: [14:25:45] C+0 64: [14:25:45] ~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'C+0' for input: 'C+0' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: C+0 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 2: 64: [14:25:45] C+0 64: [14:25:45] ~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'C+0' for input: 'C+0' 64: [14:25:45] SMILES Parse Error: number too large while parsing: [555555555555555555C] 64: [14:25:45] SMILES Parse Error: check for mistakes around position 11: 64: [14:25:45] [555555555555555555C] 64: [14:25:45] ~~~~~~~~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES '[555555555555555555C]' for input: '[555555555555555555C]' 64: [14:25:45] SMARTS Parse Error: number too large while parsing: [555555555555555555C] 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 11: 64: [14:25:45] [555555555555555555C] 64: [14:25:45] ~~~~~~~~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '[555555555555555555C]' for input: '[555555555555555555C]' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: [Fe@TD] 64: [14:25:45] SMILES Parse Error: check for mistakes around position 5: 64: [14:25:45] [Fe@TD] 64: [14:25:45] ~~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES '[Fe@TD]' for input: '[Fe@TD]' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: [Fe@TD] 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 5: 64: [14:25:45] [Fe@TD] 64: [14:25:45] ~~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '[Fe@TD]' for input: '[Fe@TD]' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:25:45] SMILES Parse Error: check for mistakes around position 4: 64: [14:25:45] c%()ccccc%() 64: [14:25:45] ~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: c%()ccccc%() 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 4: 64: [14:25:45] c%()ccccc%() 64: [14:25:45] ~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'c%()ccccc%()' for input: 'c%()ccccc%()' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:25:45] SMILES Parse Error: check for mistakes around position 9: 64: [14:25:45] c%(100000)ccccc%(100000) 64: [14:25:45] ~~~~~~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 9: 64: [14:25:45] c%(100000)ccccc%(100000) 64: [14:25:45] ~~~~~~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 64: [14:25:45] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:45] SMILES Parse Error: check for mistakes around position 14: 64: [14:25:45] COc(c1)cccc1C# 64: [14:25:45] ~~~~~~~~~~~~~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 14: 64: [14:25:45] COc(c1)cccc1C# 64: [14:25:45] ~~~~~~~~~~~~~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 64: [14:25:45] SMILES Parse Error: extra close parentheses while parsing: C) 64: [14:25:45] SMILES Parse Error: check for mistakes around position 2: 64: [14:25:45] C) 64: [14:25:45] ~^ 64: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 64: [14:25:45] SMARTS Parse Error: syntax error while parsing: C) 64: [14:25:45] SMARTS Parse Error: check for mistakes around position 2: 64: [14:25:45] C) 64: [14:25:45] ~^ 64: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'C)' for input: 'C)' 64: =============================================================================== 64: All tests passed (1695 assertions in 73 test cases) 64: 57/272 Test #64: smiTest1 ............................... Passed 0.20 sec test 65 Start 65: smiTest2 65: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTest2 65: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 65: Test timeout computed to be: 7200 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO' 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 65: [14:25:45] SMILES Parse Error: syntax error while parsing: - 65: [14:25:45] SMILES Parse Error: check for mistakes around position 1: 65: [14:25:45] - 65: [14:25:45] ^ 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES '-' for input: '-' 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]' 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C' 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 65: [14:25:45] SMILES Parse Error: Failed parsing SMILES '*' for input: '*' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O' 65: [14:25:45] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*' 58/272 Test #65: smiTest2 ............................... Passed 0.01 sec test 66 Start 66: cxsmilesTest 66: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/cxsmilesTest 66: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 66: Test timeout computed to be: 7200 66: Randomness seeded to: 165713233 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 42: [14:25:45] done: 500000 42: [14:25:45] Done 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 42: [14:25:45] Testing hanoi with a functor. 42: [14:25:45] Done 42: [14:25:45] Testing basic partition refinement. 42: [14:25:45] Done 42: [14:25:45] Testing partition refinement with neighbors. 42: [14:25:45] Done 42: [14:25:45] testing canonicalization via tie breaking. 42: [14:25:45] Done 42: [14:25:45] testing canonicalization using the wrapper. 42: [14:25:45] Done 42: [14:25:45] testing some specific ordering problems 42: [14:25:45] Finished 42: [14:25:45] testing chiral invariants. 42: [14:25:45] Finished 42: [14:25:45] testing unique ranks in w.r.t. renumbering. 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 42: [14:25:45] Finished 42: [14:25:45] testing mol fragments. 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 42: [14:25:45] Finished 42: [14:25:45] testing protein round-tripping. 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: Time taken for 1000 calls to symmetrizeSSSR (legacy): 0.346415 seconds. 62: mol has 24 rings 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: Time taken for 1 call to symmetrizeSSSR (new): 0.0417296 seconds. 62: mol has 4120 rings 62: Time taken for 1 call to symmetrizeSSSR (legacy): 0.0019632 seconds. 62: mol has 58 rings 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 66: [14:25:45] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 42: [14:25:45] Finished 42: [14:25:45] testing stability w.r.t. renumbering. 66: [14:25:45] Atom 3 appears more than once in stereo group specification! 66: =============================================================================== 66: All tests passed (2543 assertions in 36 test cases) 66: 59/272 Test #66: cxsmilesTest ........................... Passed 0.98 sec test 67 Start 67: smaTest1 67: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smaTest1 67: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 67: Test timeout computed to be: 7200 67: [14:25:46] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC 67: [14:25:46] SMARTS Parse Error: check for mistakes around position 6: 67: [14:25:46] [C:10H3]CC 67: [14:25:46] ~~~~~^ 67: [14:25:46] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC' 67: [14:25:46] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON 67: [14:25:46] SMARTS Parse Error: check for mistakes around position 6: 67: [14:25:46] [C:10:3]ON 67: [14:25:46] ~~~~~^ 67: [14:25:46] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON' 67: [14:25:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 67: [14:25:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 67: Testing SMILES: O=C1C[C@]([H])1F [#8]=[#6]1-[#6]-[#6@H]-1-[#9] 67: Testing SMILES: Cl[C@@H]1CCC1=O [#17]-[#6@@H]1-[#6]-[#6]-[#6]-1=[#8] 67: Testing SMILES: N1CCN=C1[C@H]1CCCc2ccccc21 [#7]1-[#6]-[#6]-[#7]=[#6]-1-[#6@H]1-[#6]-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-1 67: Testing SMILES: C[C@@H](Cl)[C@H]1CC[C@@H](Cl)CC1 [#6]-[#6@@H](-[#17])-[#6@H]1-[#6]-[#6]-[#6@@H](-[#17])-[#6]-[#6]-1 67: Testing SMILES: Fc1cn([C@@H]2CCCO2)c(=O)[nH]c1=O [#9]-[#6]1:[#6]:[#7](-[#6@@H]2-[#6]-[#6]-[#6]-[#8]-2):[#6](=[#8]):[#7]:[#6]:1=[#8] 67: Testing SMILES: [C@@]1(C)(C(C)(C)C)O[C@@H](CN)[C@H](C[NH3+])O1 [#6]-[#6@]1(-[#6](-[#6])(-[#6])-[#6])-[#8]-[#6@@H](-[#6]-[#7])-[#6@H](-[#6]-[#7+])-[#8]-1 67: Testing SMILES: O=C1C[C@](Cl)1F [#8]=[#6]1-[#6]-[#6@@]-1(-[#17])-[#9] 67: Testing SMILES: Br[C@@H](Cl)F [#35]-[#6@@H](-[#17])-[#9] 60/272 Test #67: smaTest1 ............................... Passed 0.14 sec test 68 Start 68: smiTestCatch 68: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 68: Test timeout computed to be: 7200 61/272 Test #44: resMolSupplierTest ..................... Passed 4.14 sec test 69 Start 69: nontetrahedralCatch 69: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/nontetrahedralCatch 69: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 69: Test timeout computed to be: 7200 68: Randomness seeded to: 1921098782 68: [14:25:46] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 68: [14:25:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:25:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:25:46] SMARTS Parse Error: unclosed ring for input: 'c1ccccc' 68: [14:25:46] SMARTS Parse Error: unclosed ring for input: 'C1C' 68: [14:25:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 68: [14:25:46] SMARTS Parse Error: syntax error while parsing: C)foo 68: [14:25:46] SMARTS Parse Error: check for mistakes around position 2: 68: [14:25:46] C)foo 68: [14:25:46] ~^ 68: [14:25:46] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo' 68: [14:25:46] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| 68: [14:25:46] SMARTS Parse Error: check for mistakes around position 4: 68: [14:25:46] CCC |$foo;;bar$| 68: [14:25:46] ~~~^ 68: [14:25:46] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|' 68: [14:25:46] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu' 69: Randomness seeded to: 108801031 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 69: [14:25:46] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false. 69: =============================================================================== 69: All tests passed (308 assertions in 9 test cases) 69: 62/272 Test #69: nontetrahedralCatch .................... Passed 0.05 sec test 70 Start 70: v2smiTestCatch 70: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/v2smiTestCatch 70: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 70: Test timeout computed to be: 7200 70: Randomness seeded to: 1045927101 70: =============================================================================== 70: All tests passed (14 assertions in 2 test cases) 70: 63/272 Test #70: v2smiTestCatch ......................... Passed 0.02 sec test 71 Start 71: smartsTestCatch 71: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smartsTestCatch 71: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse 71: Test timeout computed to be: 7200 71: Randomness seeded to: 4233915605 71: =============================================================================== 71: All tests passed (234 assertions in 4 test cases) 71: 64/272 Test #71: smartsTestCatch ........................ Passed 0.02 sec test 72 Start 72: testDepictor 72: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor/testDepictor 72: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor 72: Test timeout computed to be: 7200 72: [14:25:46] *********************************************************** 72: [14:25:46] test1 72: 72: RDKit 2D 72: 72: 51 57 0 0 0 0 0 0 0 0999 V2000 72: -6.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -1.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.5490 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.9510 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -13.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 7.7942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 6.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 9.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 10 21 2 0 72: 10 22 2 0 72: 8 23 2 0 72: 23 24 1 0 72: 3 25 1 0 72: 25 26 2 0 72: 25 27 1 0 72: 27 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 2 0 72: 32 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 35 36 2 0 72: 30 37 1 0 72: 37 38 1 0 72: 2 39 1 0 72: 39 40 1 0 72: 40 41 1 0 72: 41 42 2 0 72: 42 43 1 0 72: 43 44 2 0 72: 44 45 1 0 72: 45 46 1 0 72: 46 47 2 0 72: 47 48 1 0 72: 48 49 2 0 72: 39 50 2 0 72: 39 51 2 0 72: 20 15 1 0 72: 16 11 2 0 72: 24 5 2 0 72: 36 31 1 0 72: 38 27 1 0 72: 49 44 1 0 72: 45 40 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 51 57 0 0 0 0 0 0 0 0999 V2000 72: 11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 7.7942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 9.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 6.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 13.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 14.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 15.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 16.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 18.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 16.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 13.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.7010 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.2990 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 10 21 2 0 72: 10 22 2 0 72: 8 23 2 0 72: 23 24 1 0 72: 3 25 1 0 72: 25 26 2 0 72: 25 27 1 0 72: 27 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 30 31 1 0 72: 31 32 2 0 72: 32 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 35 36 2 0 72: 30 37 1 0 72: 37 38 1 0 72: 2 39 1 0 72: 39 40 1 0 72: 40 41 1 0 72: 41 42 2 0 72: 42 43 1 0 72: 43 44 2 0 72: 44 45 1 0 72: 45 46 1 0 72: 46 47 2 0 72: 47 48 1 0 72: 48 49 2 0 72: 39 50 2 0 72: 39 51 2 0 72: 20 15 1 0 72: 16 11 2 0 72: 24 5 2 0 72: 36 31 1 0 72: 38 27 1 0 72: 49 44 1 0 72: 45 40 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 10.7978 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -1.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.0260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.5260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.0260 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 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72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 13 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 3 1 0 72: 10 2 1 0 72: 11 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 13 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 72: -12.4579 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.2443 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -11.4011 -2.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.7714 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -12.9282 -4.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -13.9850 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -13.8282 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 2 0 72: 19 20 1 0 72: 19 21 1 0 72: 21 22 1 0 72: 22 23 2 0 72: 21 24 2 0 72: 16 25 1 0 72: 25 26 2 0 72: 26 27 1 0 72: 27 28 2 0 72: 28 29 1 0 72: 29 30 2 0 72: 29 31 1 0 72: 31 32 2 0 72: 7 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 20 12 1 0 72: 20 15 2 0 72: 23 5 1 0 72: 24 11 1 0 72: 24 6 1 0 72: 27 14 1 0 72: 32 26 1 0 72: 35 1 2 0 72: 33 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 35 43 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.5037 1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.8740 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -9.7172 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -10.9307 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0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 2 0 72: 19 20 1 0 72: 19 21 1 0 72: 21 22 1 0 72: 22 23 2 0 72: 21 24 2 0 72: 16 25 1 0 72: 25 26 2 0 72: 26 27 1 0 72: 27 28 2 0 72: 28 29 1 0 72: 29 30 2 0 72: 29 31 1 0 72: 31 32 2 0 72: 7 33 1 0 72: 33 34 2 0 72: 34 35 1 0 72: 20 12 1 0 72: 20 15 2 0 72: 23 5 1 0 72: 24 11 1 0 72: 24 6 1 0 72: 27 14 1 0 72: 32 26 1 0 72: 35 1 2 0 72: 33 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 25 26 0 0 0 0 0 0 0 0999 V2000 72: 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 15.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.7500 -6.4952 0.0000 C 0 0 0 0 0 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1 0 72: 21 23 2 0 72: 23 24 1 0 72: 23 25 1 0 72: 6 1 1 0 72: 24 18 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 26 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 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3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 68: [14:25:46] atom 3 is not associated with bond 1(1-2) in w block 72: 72: RDKit 2D 72: 72: 14 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 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0 0 0 72: 3.7500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.1399 5.2674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.2546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.5537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 3 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 6 1 2 0 72: 14 10 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 23 0 0 0 0 0 0 0 0999 V2000 72: 2.0297 -0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.6443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 -2.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 9 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 5 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 17 12 1 0 72: 19 2 1 0 72: 21 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 23 0 0 0 0 0 0 0 0999 V2000 72: 2.0494 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.6443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.1443 -2.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.1443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.3943 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.6443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 7 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 9 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 5 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 17 12 1 0 72: 19 2 1 0 72: 21 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 10.7978 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -1.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.5842 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.1577 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.0260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.7760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.5260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.0260 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 1.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0890 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7187 3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.3025 4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.6729 3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.0432 2.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1458 5.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 5.9151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.6675 7.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7859 8.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3593 7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.2494 9.7687 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 3 0 72: 10 13 2 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 17 19 1 0 72: 6 3 2 0 72: 18 14 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 7 8 0 0 0 0 0 0 0 0999 V2000 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1506 1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 1 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 1 1 0 72: 5 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 7 8 0 0 0 0 0 0 0 0999 V2000 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8209 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.8209 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 1 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 1 1 0 72: 5 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 9 3 1 0 72: 12 2 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 5 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 16 1 0 72: 16 17 1 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 19 21 2 0 72: 2 22 2 0 72: 17 4 1 0 72: 16 15 1 0 72: 10 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 24 0 0 0 0 0 0 0 0999 V2000 72: 5.2500 -3.8971 0.0000 C 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 3 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 3 11 1 0 72: 11 12 1 0 72: 12 13 3 0 72: 11 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 2 0 72: 10 5 1 0 72: 19 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 3 0 72: 9 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 3 0 72: 17 20 1 0 72: 20 21 3 0 72: 14 22 1 0 72: 22 23 1 0 72: 23 24 2 0 72: 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 2 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 9 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 2 0 72: 12 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 19 22 2 0 72: 22 23 1 0 72: 23 24 1 0 72: 8 5 1 0 72: 14 10 1 0 72: 23 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 26 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 O 0 0 0 0 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72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 12 17 1 0 72: 17 18 1 0 72: 18 19 2 0 72: 6 1 2 0 72: 19 10 1 0 72: 17 16 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 22 0 0 0 0 0 0 0 0999 V2000 72: 6.2286 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.4786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2286 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 9.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 9.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.9843 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 4 12 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 20 22 2 0 72: 11 5 1 0 72: 18 13 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 22 22 0 0 0 0 0 0 0 0999 V2000 72: 6.2286 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.4786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2286 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.9786 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 6.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 5.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 7.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 4 12 2 0 72: 13 14 1 0 72: 14 15 2 0 72: 15 16 1 0 72: 16 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 20 22 2 0 72: 11 5 1 0 72: 18 13 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.2954 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3828 0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 6 1 1 0 72: 8 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 6 1 1 0 72: 8 3 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 3 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 8 10 1 0 72: 10 11 3 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 12 0 0 0 0 0 0 0 0999 V2000 72: 6.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 3 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 7 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 12 0 0 0 0 0 0 0 0999 V2000 72: 6.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 3 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 7 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 31 34 0 0 0 0 0 0 0 0999 V2000 72: 14.1165 3.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.7462 4.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 12.5894 6.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.5327 3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.1624 4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.9488 3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 11.6895 2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 10.4760 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 9.1056 1.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.8921 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.3650 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.2082 4.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.8817 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.3083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.5218 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.7353 -2.5134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4182 -2.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.9916 -3.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.9916 -4.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4182 -5.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.2998 -3.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 2 4 1 0 72: 4 5 1 0 72: 5 6 2 0 72: 4 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 12 13 3 0 72: 11 14 1 0 72: 14 15 2 0 72: 14 16 1 0 72: 16 17 1 0 72: 17 18 3 0 72: 16 19 2 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 22 23 1 0 72: 23 24 2 0 72: 19 25 1 0 72: 25 26 1 0 72: 26 27 1 0 72: 26 28 2 0 72: 28 29 1 0 72: 29 30 2 0 72: 30 31 1 0 72: 9 6 1 0 72: 25 15 1 0 72: 24 20 1 0 72: 31 27 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 31 34 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 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72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 2 0 72: 13 15 1 0 72: 15 16 1 0 72: 15 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 14 7 1 0 72: 18 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 19 20 0 0 0 0 0 0 0 0999 V2000 72: -8.6562 2.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.2296 2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.1149 1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.6883 2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.3764 3.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.5736 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1470 1.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9499 4.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2458 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 2 0 72: 4 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 2 0 72: 11 12 1 0 72: 11 13 1 0 72: 13 14 2 0 72: 13 15 1 0 72: 15 16 1 0 72: 15 17 2 0 72: 17 18 1 0 72: 18 19 1 0 72: 14 7 1 0 72: 18 14 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 4.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.5490 3.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0365 -4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3901 -4.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -4.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 -6.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.9510 -7.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3481 -6.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.9510 -8.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3481 -9.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4635 -4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8901 -4.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0048 -3.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2020 -5.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.6286 -6.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.9404 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 3 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 9 11 1 0 72: 9 12 1 0 72: 7 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 17 18 2 0 72: 17 19 1 0 72: 19 20 1 0 72: 20 21 1 0 72: 21 22 2 0 72: 21 23 1 0 72: 23 24 1 0 72: 19 25 2 0 72: 25 26 1 0 72: 26 27 2 0 72: 26 28 1 0 72: 28 29 1 0 72: 29 30 1 0 72: 25 1 1 0 72: 16 1 1 0 72: 15 5 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 30 32 0 0 0 0 0 0 0 0999 V2000 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 4.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 1.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.0819 -1.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7221 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.7221 -2.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0211 -5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -8.3202 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.4418 -6.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 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0 0 0 0 0 0 0 72: 1.0044 2.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.4962 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.1063 4.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.3779 1.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7678 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.6494 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 4 6 2 0 72: 2 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 2 0 72: 11 1 1 0 72: 5 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8578 -2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7062 2.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0967 5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.8351 3.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.5736 1.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 4 6 2 0 72: 2 7 1 0 72: 7 8 1 0 72: 8 9 2 0 72: 8 10 1 0 72: 10 11 1 0 72: 11 12 2 0 72: 11 1 1 0 72: 5 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 3.8971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -9.0933 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -7.7942 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 3.8971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 10 12 1 0 72: 12 13 2 0 72: 13 14 1 0 72: 13 15 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 6 6 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 6 6 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 4 4 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 4 4 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 8 0 0 0 0 0 0 0 0999 V2000 72: 1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 8 0 0 0 0 0 0 0 0999 V2000 72: 1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9598 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.3858 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 1 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 13 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 17 17 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 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0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2990 -2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2990 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 14 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 14 21 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 21 21 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.7010 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4019 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 8 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 1 0 72: 14 18 1 0 72: 18 19 1 0 72: 19 20 1 0 72: 14 21 1 0 72: 6 1 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 10 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 2 0 72: 6 7 1 0 72: 3 8 1 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 1 1 0 72: 8 7 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 10 11 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 2 0 72: 6 7 1 0 72: 3 8 1 0 72: 8 9 1 0 72: 9 10 2 0 72: 10 1 1 0 72: 8 7 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.7990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 1 2 0 72: 6 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.7990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 2 0 72: 3 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 1 2 0 72: 6 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 10 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 3 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 1 2 0 72: 7 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 9 10 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.9672 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 3 7 1 0 72: 7 8 2 0 72: 8 9 1 0 72: 9 1 2 0 72: 7 6 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 13 15 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 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-2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 1 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 9 1 1 0 72: 13 8 1 0 72: 10 4 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 20 24 0 0 0 0 0 0 0 0999 V2000 72: 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 7 12 1 0 72: 12 13 2 0 72: 5 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 15 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 14 1 1 0 72: 20 1 1 0 72: 13 4 1 0 72: 17 6 1 0 72: 12 11 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 20 24 0 0 0 0 0 0 0 0999 V2000 72: 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 2 0 72: 7 8 1 0 72: 8 9 2 0 72: 9 10 1 0 72: 10 11 2 0 72: 7 12 1 0 72: 12 13 2 0 72: 5 14 1 0 72: 14 15 1 0 72: 15 16 1 0 72: 16 17 2 0 72: 15 18 2 0 72: 18 19 1 0 72: 19 20 2 0 72: 14 1 1 0 72: 20 1 1 0 72: 13 4 1 0 72: 17 6 1 0 72: 12 11 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 15 17 0 0 0 0 0 0 0 0999 V2000 72: 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 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-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 5 11 1 0 72: 11 12 1 0 72: 12 13 1 0 72: 13 14 1 0 72: 14 15 1 0 72: 11 1 1 0 72: 15 1 1 0 72: 10 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 5 8 1 0 72: 8 1 1 0 72: 7 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 9 0 0 0 0 0 0 0 0999 V2000 72: 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 5 8 1 0 72: 8 1 1 0 72: 7 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 12 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0607 -2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1213 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1213 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 4 1 1 0 72: 6 1 1 0 72: 7 2 1 0 72: 8 3 1 0 72: 8 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 8 12 0 0 0 0 0 0 0 0999 V2000 72: 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0000 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0607 2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1213 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0607 -2.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.1213 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 4 1 1 0 72: 6 1 1 0 72: 7 2 1 0 72: 8 3 1 0 72: 8 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 28 0 0 0 0 0 0 0 0999 V2000 72: 3.8976 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7197 -0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.4510 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.6306 -2.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.8069 -4.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.8612 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 5.3976 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.3997 -5.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4711 -6.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.9810 -8.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.5544 -8.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.6727 -7.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.7710 -7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.9489 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.6082 -5.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.0717 -4.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.8582 -3.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.6819 -5.0205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1623 -7.4887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 3 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 1 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 10 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 2 0 72: 21 22 1 0 72: 22 23 1 0 72: 17 24 1 0 72: 24 14 1 0 72: 12 1 1 0 72: 23 19 2 0 72: 22 8 2 0 72: 7 5 2 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 24 28 0 0 0 0 0 0 0 0999 V2000 72: -0.0660 4.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.4532 2.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.7425 -1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0842 5.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -2.4464 5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.2329 6.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.0194 5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -3.9452 5.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.3525 5.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.7791 5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.6608 4.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0820 3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.1409 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.6217 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -7.0852 -1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.8717 -2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -4.2413 -1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -5.6035 -0.9992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: -6.4540 4.3706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 2 0 72: 2 3 1 0 72: 3 4 2 0 72: 4 5 1 0 72: 3 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 1 9 1 0 72: 9 10 2 0 72: 10 11 1 0 72: 11 12 2 0 72: 10 13 1 0 72: 13 14 2 0 72: 14 15 1 0 72: 15 16 2 0 72: 16 17 1 0 72: 17 18 2 0 72: 18 19 1 0 72: 19 20 1 0 72: 20 21 2 0 72: 21 22 1 0 72: 22 23 1 0 72: 17 24 1 0 72: 24 14 1 0 72: 12 1 1 0 72: 23 19 2 0 72: 22 8 2 0 72: 7 5 2 0 72: M END 72: 72: [14:25:46] *********************************************************** 72: 72: [14:25:46] *********************************************************** 72: [14:25:46] testCollisions 72: [14:25:46] *********************************************************** 72: 72: [14:25:46] *********************************************************** 72: [14:25:46] testAddHs 72: [14:25:46] *********************************************************** 72: 72: [14:25:46] *********************************************************** 72: [14:25:46] test198 72: [14:25:46] *********************************************************** 72: 72: [14:25:46] *********************************************************** 72: [14:25:46] test2 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] test3 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] test4 72: 72: RDKit 2D 72: 72: 11 12 0 0 0 0 0 0 0 0999 V2000 72: 3.5200 1.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3870 1.2126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0391 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0300 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3900 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8500 -2.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4600 -5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5758 -4.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 7 3 1 0 72: 11 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 11 12 0 0 0 0 0 0 0 0999 V2000 72: 3.5260 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 1.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.8578 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.1459 -3.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5725 -4.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.4577 -5.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 2 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 6 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 7 3 1 0 72: 11 9 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: -0.8300 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 0.1900 4.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.6600 3.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.1000 2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0800 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.5616 1.1266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7300 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0800 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3800 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5600 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5600 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3800 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 5 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 1 1 0 72: 12 5 1 0 72: M END 72: 72: 72: RDKit 2D 72: 72: 12 13 0 0 0 0 0 0 0 0999 V2000 72: 1.9227 -2.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.4185 -2.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 4.0694 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 3.2244 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 2.4786 1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72: 1 2 1 0 72: 2 3 1 0 72: 3 4 1 0 72: 4 5 1 0 72: 5 6 1 0 72: 5 7 1 0 72: 7 8 1 0 72: 8 9 1 0 72: 9 10 1 0 72: 10 11 1 0 72: 11 12 1 0 72: 12 1 1 0 72: 12 5 1 0 72: M END 72: 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] tempTest 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Issue248 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Queries 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test crashes associated with RemoveHs 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 2091304 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 2821647 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 2948402 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 2995724 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Testing a change of the depictor bond length 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 3122141 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 3135833 72: [14:25:46] Warning: stereochemistry around double bond may be incorrect in depiction. 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 3487469 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 8 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 78 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 910 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 1073 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] testConstrainedCoords 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 1112: Bad coordinate generation for H2 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test Issue 2303566 72: [14:25:46] *********************************************************** 72: [14:25:46] *********************************************************** 72: [14:25:46] Test GitHub Issue 1286: GenerateDepictionMatching2DStructure isn't matching 2D structure 72: [14:25:46] *********************************************************** 72: [14:25:46] ----------------------- 72: Testing Github issue 1691: Acetylenic hydrogens not given appropriate 2D coordinates 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Testing Github issue 2027: "linear" fragments not canonically oriented 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Test generateDepictionMatching2DStructure with refPattern and matchVect 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Test generateDepictionMatching2DStructure with allowRGroups 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Test generateDepictionMatching2DStructure with allowRGroups 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Test normalize and straighten depiction 72: [14:25:46] Finished 72: [14:25:46] ----------------------- 72: Test that ring system templates are valid 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 72: [14:25:47] Finished 65/272 Test #72: testDepictor ........................... Passed 0.75 sec test 73 Start 73: depictorCatch 73: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor/depictorCatch 73: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor 73: Test timeout computed to be: 7200 73: Randomness seeded to: 1515217964 73: =============================================================================== 73: All tests passed (8274 assertions in 33 test cases) 73: 66/272 Test #73: depictorCatch .......................... Passed 0.39 sec test 74 Start 74: pyDepictor 74: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Depictor/Wrap/testDepictor.py" 74: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Depictor/Wrap 74: Test timeout computed to be: 7200 62: Time taken for 10000 calls to symmetrizeSSSR (legacy): 0.647351 seconds. 62: Time taken for 10000 calls to symmetrizeSSSR (new): 0.452766 seconds. 62: =============================================================================== 62: All tests passed (20018 assertions in 5 test cases) 62: 67/272 Test #62: ringSystemsTest ........................ Passed 2.97 sec test 75 Start 75: testMrvToMol 75: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse/testMrvToMol 75: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse 75: Test timeout computed to be: 7200 75: Using new chirality perception 75: Test 75: 75: rxnStereoMarkedCrossed.mrv 75: 75: Test 75: 75: DataSgroupNoFieldName.mol 75: 75: Test 75: 75: 145323811.mol 75: 75: [14:25:47] unsupported number of radical electrons 5 75: Test 75: 75: NewChiralTest.sdf 75: 75: Test 75: 75: NewChiralTest.sdf 75: 75: Test 75: 75: NewChiralTestNoChiral.sdf 75: 75: Test 75: 75: NewChiralTestNoChiral.sdf 75: 75: Test 75: 75: NewChiralTestAllChiral.sdf 75: 75: Test 75: 75: NewChiralTestAllChiral.sdf 75: 75: Test 75: 75: vendor839.sdf 75: 75: Test 75: 75: ProblemShort.mol 75: 75: [14:25:47] For a MultipleSgroup expansion, the matching orphaned bond was not found 75: The multiple sgroup will be ignored 75: Test 75: 75: badWedgeError.sdf 75: 75: Test 75: 75: CrossedDoubleBondWithChiralNbr2.sdf 75: 75: Test 75: 75: CrossedDoubleBondWithChiralNbr.sdf 75: 75: Test 75: 75: SimpleWiggleDoubleBond.sdf 75: 75: Test 75: 75: lostStereoAnd.sdf 75: 75: Test 75: 75: DoubleBondChain.sdf 75: 75: Test 75: 75: UnitsError.sdf 75: 75: Test 75: 75: StarAtom.sdf 75: 75: Test 75: 75: nonProprietary.mol 75: 75: Test 75: 75: ChiralTest.sdf 75: 75: Test 75: 75: TestBond1.mol 75: 75: Test 75: 75: Sgroup_MUL_ParentInMiddle.sdf 75: 75: Test 75: 75: BadRxn.rxn 75: 75: Test 75: 75: FalseChiral.mrv 75: 75: Test 75: 75: FalseChiral.mrv 75: 75: Test 75: 75: Cubane.mrv 75: 75: Test 75: 75: NewChiralTest.mrv 75: 75: Test 75: 75: NewChiralTest.mrv 75: 75: Test 75: 75: NewChiralTestNoChiral.mrv 75: 75: Test 75: 75: NewChiralTestNoChiral.mrv 75: 75: Test 75: 75: NewChiralTestAllChiral.mrv 75: 75: Test 75: 75: NewChiralTestAllChiral.mrv 75: 75: Test 75: 75: DataSgroupMissingUnitsDisplayed.mrv 75: 75: Test 75: 75: lostStereoAnd.mrv 75: 75: Test 75: 75: DoubleBondChain.mrv 75: 75: Test 75: 75: WigglyAndCrossed.mrv 75: 75: Test 75: 75: BondTypes.mrv 75: 75: Test 75: 75: EmbeddedSGroupSUP_MUL.mrv 75: 75: Test 75: 75: EmbeddedSgroupCOP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupDAT_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupMULTICENTER_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_MUL.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_MUL2.mrv 75: 75: Test 75: 75: EmbeddedSgroupMUL_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSRU_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUPEXP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUPEXP_SUP2.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_MULTICENTER.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_SUP.mrv 75: 75: Test 75: 75: EmbeddedSgroupSUP_SUP2.mrv 75: 75: Test 75: 75: RgroupBad.mrv 75: 75: Test 75: 75: valenceLessThanDrawn.mrv 75: 75: Test 75: 75: data_sgroup_no_fieldname.mrv 75: 75: Test 75: 75: data_sgroup_empty_field_data.mrv 75: 75: Test 75: 75: radical_value.mrv 75: 75: Test 75: 75: emptyOneLineAtomList.mrv 75: 75: Test 75: 75: mrvValence_value.mrv 75: 75: Test 75: 75: ChiralTest2.mrv 75: 75: Test 75: 75: ChiralTest.mrv 75: 75: Test 75: 75: SnCl2.mrv 75: 75: Test 75: 75: SnH2Cl2.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: marvin02.mrv 75: 75: Test 75: 75: marvin07.mrv 75: 75: Test 75: 75: marvin10.mrv 75: 75: Test 75: 75: marvin06.mrv 75: 75: Test 75: 75: marvin12.mrv 75: 75: Test 75: 75: EmptyMol.mrv 75: 75: Test 75: 75: Sparse.mrv 75: 75: Test 75: 75: Sparse2.mrv 75: 75: Test 75: 75: Sparse3.mrv 75: 75: Test 75: 75: MarvinNoCoords.mrv 75: 75: Test 75: 75: aspirin.mrv 75: 75: Test 75: 75: MarvinStereoGroupsZeros.mrv 75: 75: Test 75: 75: MarvinStereoGroupsAbs.mrv 75: 75: Test 75: 75: triphenylphosphine.mrv 75: 75: Test 75: 75: MarvinOldSuperGroupTest.mrv 75: 75: Test 75: 75: RadicalTests.mrv 75: 75: Test 75: 75: AnyBond.mrv 75: 75: Test 75: 75: cisBenzene.mrv 75: 75: Test 75: 75: DativeBond.mrv 75: 75: Test 75: 75: MultipleSgroup.mrv 75: 75: Test 75: 75: SgroupExpanded.mrv 75: 75: Test 75: 75: SgroupMultAttach.mrv 75: 75: Test 75: 75: MarvinMissingX2.mrv 75: 75: Test 75: 75: MarvinMissingY2.mrv 75: 75: Test 75: 75: DataSgroup.mrv 75: 75: Test 75: 75: MulticenterSgroup.mrv 75: 75: [14:25:47] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 75: [14:25:47] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 75: Test 75: 75: GenericSgroup.mrv 75: 75: Test 75: 75: MonomerSgroup.mrv 75: 75: Test 75: 75: modification_sgroup.mrv 75: 75: Test 75: 75: copolymer_sgroup.mrv 75: 75: Test 75: 75: MultipleSgroupParentInMiddleOfAtomBlock.mrv 75: 75: Test 75: 75: EmbeddedSgroups.mrv 75: 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: MarvinBadMissingMolID.mrv 75: 75: [14:25:47] 75: 75: **** 75: Test Assert 75: Expression Failed: 75: Violation occurred on line 353 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp 75: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr 75: ---------- 75: Stacktrace: 75: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 75: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 75: 2# 0x00000000000190D0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse/testMrvToMol 75: 3# 0x0000000000025E48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse/testMrvToMol 75: 4# 0x0000000000007F18 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse/testMrvToMol 75: 5# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 75: 6# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 75: 7# 0x00000000000088A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MarvinParse/testMrvToMol 75: ---------- 75: **** 75: 75: Test 75: 75: MarvinBadMissingAtomID.mrv 75: 75: Expected id, elementType for an atom definition in MRV file 75: Test 75: 75: MarvinBadX2.mrv 75: 75: The values x2 and y2 must be large floats in MRV file 75: Test 75: 75: MarvinBadY2.mrv 75: 75: The values x2 and y2 must be large floats in MRV file 75: Test 75: 75: MarvinBadStereoGroupsAbs.mrv 75: 75: Unrecognized group definition 75: Test 75: 75: MarvinBadElementType.mrv 75: 75: Test 75: 75: MarvinBadMissingBondID.mrv 75: 75: Test 75: 75: MarvinBadMissingBondAtomRefs 75: 75: Test 75: 75: MarvinBadMissingBondOrder.mrv 75: 75: bond must have one of: order, queryType, or convention in MRV File 75: Test 75: 75: MarvinBadMissingSruMolID.mrv 75: 75: Expected a molID in MRV file 75: Test 75: 75: MarvinBadMissingSruID.mrv 75: 75: Test 75: 75: MarvinBadMissingSruRole.mrv 75: 75: Test 75: 75: MarvinBadMissingSruAtomRef.mrv 75: 75: Test 75: 75: MarvinBadMissingSruTitle.mrv 75: 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruID.mrv 75: 75: Test 75: 75: MarvinBadSruRole.mrv 75: 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruAtomRef.mrv 75: 75: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 75: Test 75: 75: MarvinBadSruConnect.mrv 75: 75: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachBond.mrv 75: 75: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file 75: Test 75: 75: MarvinBadSupAttachOrder.mrv 75: 75: Order for an AttachmentPoint definition must be an integer in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupAttachAtom.mrv 75: 75: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 75: Test 75: 75: MarvinBadSupMissingAttachBond.mrv 75: 75: No attachment point found for bond to the condensed atom in a superatomSgroup 75: Test 75: 75: MarvinBadSupMissingAttachOrder.mrv 75: 75: Expected atom, order and bond, for an AttachmentPoint definition in MRV file 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: Cubane.mrv 75: 75: Test 75: 75: FalseAtropisomer.mrv 75: 75: Test 75: 75: AtropEnhancedStereo.mrv 75: 75: Test 75: 75: AtropManyChirals.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced2.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced3.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced4.mrv 75: 75: Test 75: 75: BMS-986142_3d_chiral.mrv 75: 75: Test 75: 75: BMS-986142_3d.mrv 75: 75: Test 75: 75: BMS-986142_atrop1.mrv 75: 75: Test 75: 75: BMS-986142_atrop2.mrv 75: 75: Test 75: 75: BMS-986142_atrop3.mrv 75: 75: Test 75: 75: BMS-986142_atrop4.mrv 75: 75: Test 75: 75: BMS-986142_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atrop6.mrv 75: 75: Test 75: 75: BMS-986142_atrop7.mrv 75: 75: Test 75: 75: BMS-986142_atrop8.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atropBad2.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 75: Test 75: 75: JDQ443_3d.mrv 75: 75: Test 75: 75: JDQ443_atrop1.mrv 75: 75: Test 75: 75: JDQ443_atrop2.mrv 75: 75: Test 75: 75: JDQ443_atrop3.mrv 75: 75: Test 75: 75: JDQ443_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 75: Test 75: 75: RP-6306_atrop1.mrv 75: 75: Test 75: 75: RP-6306_atrop2.mrv 75: 75: Test 75: 75: RP-6306_atrop3.mrv 75: 75: Test 75: 75: RP-6306_atrop4.mrv 75: 75: Test 75: 75: RP-6306_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: Test 75: 75: RP-6306_atropBad1.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 75: Test 75: 75: RP-6306_atropBad2.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 68: [14:25:48] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 68: [14:25:48] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 68: [14:25:48] SMARTS Parse Error: syntax error while parsing: C1C)foo 68: [14:25:48] SMARTS Parse Error: check for mistakes around position 4: 68: [14:25:48] C1C)foo 68: [14:25:48] ~~~^ 68: [14:25:48] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo' 68: [14:25:48] SMILES Parse Error: extra close parentheses while parsing: C1C)foo 68: [14:25:48] SMILES Parse Error: check for mistakes around position 4: 68: [14:25:48] C1C)foo 68: [14:25:48] ~~~^ 68: [14:25:48] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo' 75: Test 75: 75: RP-6306_3d.mrv 75: 75: Test 75: 75: Sotorasib_atrop1.mrv 75: 75: Test 75: 75: Sotorasib_atrop2.mrv 75: 75: Test 75: 75: Sotorasib_atrop3.mrv 75: 75: Test 75: 75: Sotorasib_atrop4.mrv 75: 75: Test 75: 75: Sotorasib_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: Sotorasib_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 68: [14:25:48] 68: 68: **** 68: Pre-condition Violation 68: rootedAtAtom must be less than the number of atoms 68: Violation occurred on line 499 in file ./Code/GraphMol/SmilesParse/SmilesWrite.cpp 68: Failed Expression: params.rootedAtAtom < 0 || static_cast(params.rootedAtAtom) < mol.getNumAtoms() 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 68: 2# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSmilesParse.so.1 68: 3# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSmilesParse.so.1 68: 4# 0x000000000002E5B0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 5# 0x00000000000C0DAC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 6# 0x00000000000C2460 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 7# 0x00000000000C28B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 8# 0x0000000000094324 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 9# 0x000000000009488C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 10# 0x00000000000258D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 68: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 68: 13# 0x0000000000025960 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SmilesParse/smiTestCatch 68: ---------- 68: **** 68: 68: [14:25:48] SMILES Parse Error: syntax error while parsing: CClâ‚‚O 68: [14:25:48] SMILES Parse Error: check for mistakes around position 4: 68: [14:25:48] CClâ‚‚O 68: [14:25:48] ~~~^ 68: [14:25:48] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚O' for input: 'CClâ‚‚O' 68: [14:25:48] SMARTS Parse Error: syntax error while parsing: CClâ‚‚O 68: [14:25:48] SMARTS Parse Error: check for mistakes around position 4: 68: [14:25:48] CClâ‚‚O 68: [14:25:48] ~~~^ 68: [14:25:48] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚O' for input: 'CClâ‚‚O' 68: [14:25:48] SMILES Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 68: [14:25:48] SMILES Parse Error: check for mistakes around position 4: 68: [14:25:48] CClâ‚‚OZrâ‚‚CClO 68: [14:25:48] ~~~^ 68: [14:25:48] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 68: [14:25:48] SMARTS Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 68: [14:25:48] SMARTS Parse Error: check for mistakes around position 4: 68: [14:25:48] CClâ‚‚OZrâ‚‚CClO 68: [14:25:48] ~~~^ 68: [14:25:48] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 75: Test 75: 75: Sotorasib_atropBad2.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 68: [14:25:48] SMILES Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 68: [14:25:48] SMILES Parse Error: check for mistakes around position 8: 68: [14:25:48] C[As@TB0](F)(Cl)(O)Br 68: [14:25:48] ~~~~~~~^ 68: [14:25:48] SMILES Parse Error: Failed parsing SMILES 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 68: [14:25:48] SMARTS Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 68: [14:25:48] SMARTS Parse Error: check for mistakes around position 8: 68: [14:25:48] C[As@TB0](F)(Cl)(O)Br 68: [14:25:48] ~~~~~~~^ 68: [14:25:48] SMARTS Parse Error: Failed parsing SMARTS 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 68: =============================================================================== 68: All tests passed (1879 assertions in 80 test cases) 68: 68/272 Test #68: smiTestCatch ........................... Passed 2.09 sec test 76 Start 76: fileParsersTest1 76: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 76: Test timeout computed to be: 7200 75: Test 75: 75: Sotorasib_3d.mrv 75: 75: Test 75: 75: ZM374979_atrop1.mrv 75: 75: Test 75: 75: ZM374979_atrop2.mrv 75: 75: Test 75: 75: ZM374979_atrop3.mrv 75: 75: Test 75: 75: ZM374979_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 74: ...............[14:25:48] SMARTS Parse Error: syntax error while parsing: invalidsmiles 74: [14:25:48] SMARTS Parse Error: check for mistakes around position 1: 74: [14:25:48] invalidsmiles 74: [14:25:48] ^ 74: [14:25:48] SMARTS Parse Error: Failed parsing SMARTS 'invalidsmiles' for input: 'invalidsmiles' 75: Test 75: 75: mrtx1719_3d.mrv 75: 75: Test 75: 75: mrtx1719_atrop1.mrv 75: 75: Test 75: 75: mrtx1719_atrop2.mrv 75: 75: Test 75: 75: mrtx1719_atrop3.mrv 75: 75: Test 75: 75: mrtx1719_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 76: *************************************** 76: *************************************** 76: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:25:48] bond with order 0 found on line 7. This is not part of the MDL specification. 76: [14:25:48] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 76: [14:25:48] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 76: [14:25:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: generating smiles 76: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 76: converting back 76: check isomorphism 75: Test 75: 75: FalseAtropisomer.mrv 75: 75: Test 75: 75: AtropEnhancedStereo.mrv 75: 75: Test 75: 75: AtropManyChirals.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced2.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced3.mrv 75: 75: Test 75: 75: AtropManyChiralsEnhanced4.mrv 75: 75: Test 75: 75: BMS-986142_3d_chiral.mrv 75: 75: Test 75: 75: BMS-986142_3d.mrv 75: 75: Test 75: 75: BMS-986142_atrop1.mrv 75: 75: Test 75: 75: BMS-986142_atrop2.mrv 75: 75: Test 75: 75: BMS-986142_atrop3.mrv 75: 75: Test 75: 75: BMS-986142_atrop4.mrv 75: 75: Test 75: 75: BMS-986142_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atrop6.mrv 75: 75: Test 75: 75: BMS-986142_atrop7.mrv 75: 75: Test 75: 75: BMS-986142_atrop8.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: BMS-986142_atropBad2.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 75: Test 75: 75: JDQ443_3d.mrv 75: 75: Test 75: 75: JDQ443_atrop1.mrv 75: 75: Test 75: 75: JDQ443_atrop2.mrv 75: 75: Test 75: 75: JDQ443_atrop3.mrv 75: 75: Test 75: 75: JDQ443_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 75: Test 75: 75: RP-6306_atrop1.mrv 75: 75: Test 75: 75: RP-6306_atrop2.mrv 75: 75: Test 75: 75: RP-6306_atrop3.mrv 75: 75: Test 75: 75: RP-6306_atrop4.mrv 75: 75: Test 75: 75: RP-6306_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: Test 75: 75: RP-6306_atropBad1.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 75: Test 75: 75: RP-6306_atropBad2.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 75: Test 75: 75: RP-6306_3d.mrv 75: 75: Test 75: 75: Sotorasib_atrop1.mrv 75: 75: Test 75: 75: Sotorasib_atrop2.mrv 75: 75: Test 75: 75: Sotorasib_atrop3.mrv 75: 75: Test 75: 75: Sotorasib_atrop4.mrv 75: 75: Test 75: 75: Sotorasib_atrop5.mrv 75: 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 75: Test 75: 75: Sotorasib_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 75: Test 75: 75: Sotorasib_atropBad2.mrv 75: 75: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 75: Test 75: 75: Sotorasib_3d.mrv 75: 75: Test 75: 75: ZM374979_atrop1.mrv 75: 75: Test 75: 75: ZM374979_atrop2.mrv 75: 75: Test 75: 75: ZM374979_atrop3.mrv 75: 75: Test 75: 75: ZM374979_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 75: Test 75: 75: mrtx1719_3d.mrv 75: 75: Test 75: 75: mrtx1719_atrop1.mrv 75: 75: Test 75: 75: mrtx1719_atrop2.mrv 75: 75: Test 75: 75: mrtx1719_atrop3.mrv 75: 75: Test 75: 75: mrtx1719_atropBad1.mrv 75: 75: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 75: Test 75: 75: AlexRxn.mrv 75: 75: Test 75: 75: BadReactionSign.mrv 75: 75: Test 75: 75: bondArray_node.mrv 75: 75: Test 75: 75: marvin03.mrv 75: 75: Test 75: 75: marvin04.mrv 75: 75: Test 75: 75: marvin08.mrv 75: 75: Test 75: 75: marvin09.mrv 75: 75: Test 75: 75: marvin11.mrv 75: 75: Test 75: 75: marvin05.mrv 75: 75: Test 75: 75: EmptyRxn.mrv 75: 75: [14:25:48] initialization failed 75: Test 75: 75: RxnNoCoords.mrv 75: 75: Test 75: 75: mrvValenceZero.mrv 75: 75: Test 75: 75: condition_coordinates_mpoint.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: aspirineSynthesisWithAttributes.mrv 75: 75: Test 75: 75: marvin01.mrv 75: 75: Test 75: 75: NewChiralTest 75: 75: Test 75: 75: NewChiralTest 75: 75: Test 75: 75: NewChiralTestNoChiral 75: 75: Test 75: 75: NewChiralTestNoChiral 75: 75: Test 75: 75: NewChiralTest2 75: 75: Test 75: 75: NewChiralTest2 75: 75: Test 75: 75: NewChiralTest2AllChiral 75: 75: Test 75: 75: NewChiralTest2AllChiral 75: 75: Test 75: 75: Vendor839 75: 75: Test 75: 75: DoubleBondChain 75: 75: Test 75: 75: Na_Mg_Al_OH 75: 75: Test 75: 75: Pb 75: 75: Test 75: 75: O_Mg_Si 75: 75: Test 75: 75: SquiggleBond 75: 75: Test 75: 75: BigMacrocycle 75: 75: Test 75: 75: Smiles1 75: 69/272 Test #75: testMrvToMol ........................... Passed 1.07 sec test 77 Start 77: testAtropisomers 77: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testAtropisomers 77: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 77: Test timeout computed to be: 7200 77: [14:25:48] ---- Running with POSIX locale ----- 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:25:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:25:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: [14:25:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 77: Atropisomers- 1 hits 3 misses 77: Final results: 77: Found atropisomers in TestMultInSDF.sdf - 1 hits 4 misses 70/272 Test #77: testAtropisomers ....................... Passed 0.23 sec test 78 Start 78: testSquiggleDoubleBonds 78: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testSquiggleDoubleBonds 78: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 78: Test timeout computed to be: 7200 74: ..... 74: ---------------------------------------------------------------------- 74: Ran 20 tests in 1.086s 74: 74: OK 78: Randomness seeded to: 1448975927 78: =============================================================================== 78: All tests passed (15 assertions in 3 test cases) 78: 71/272 Test #78: testSquiggleDoubleBonds ................ Passed 0.03 sec test 79 Start 79: testMolSupplier 79: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testMolSupplier 79: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 79: Test timeout computed to be: 7200 79: Randomness seeded to: 53140453 79: [14:25:48] Ignoring invalid chirality label: '2_bad_chirality' 76: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:48] deprecated group abbreviation ignored on line 24 76: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 76: [14:25:48] 76: 76: **** 76: Post-condition Violation 76: Element 'Mv' not found 76: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 76: Failed Expression: anum > -1 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 9# 0x00000000000340D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 10# 0x00000000000A4B30 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 11# 0x00000000000136D4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 12# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 13# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 14# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 79: [14:25:48] Ignoring invalid chirality label: '2_bad_chirality' 76: [14:25:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: [14:25:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72/272 Test #74: pyDepictor ............................. Passed 1.50 sec test 80 Start 80: testGeneralFileReader 80: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testGeneralFileReader 80: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 80: Test timeout computed to be: 7200 80: [14:25:48] 80: ----------------------------------------- 80: [14:25:48] Finished: testDetermineFormat() 80: [14:25:48] ----------------------------------------- 80: 80: [14:25:48] 80: ----------------------------------------- 80: [14:25:48] Finished: testSdf() 80: [14:25:48] ----------------------------------------- 80: 80: [14:25:48] 80: ----------------------------------------- 80: [14:25:48] Finished: testSmi() 80: [14:25:48] ----------------------------------------- 80: 80: [14:25:48] 80: ----------------------------------------- 76: ---------------------------------- 76: ---------------------------------- 76: [14:25:48] 76: 76: **** 76: Pre-condition Violation 76: rlabel out of range for MDL files 76: Violation occurred on line 872 in file ./Code/GraphMol/Atom.cpp 76: Failed Expression: rlabel >= 0 && rlabel < 100 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 76: 3# 0x000000000003FF94 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 4# 0x00000000000A4B90 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 5# 0x00000000000136D4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 8# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 79: [14:25:48] SMILES Parse Error: syntax error while parsing: fail 79: [14:25:48] SMILES Parse Error: check for mistakes around position 1: 79: [14:25:48] fail 79: [14:25:48] ^ 79: [14:25:48] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 79: [14:25:48] ERROR: Smiles parse error on line 3 79: [14:25:48] ERROR: Cannot create molecule from : 'fail' 80: [14:25:48] Finished: testMae() 80: [14:25:48] ----------------------------------------- 80: 80: [14:25:48] 80: ----------------------------------------- 80: [14:25:48] Finished: testTdt() 80: [14:25:48] ----------------------------------------- 80: 73/272 Test #80: testGeneralFileReader .................. Passed 0.10 sec test 81 Start 81: testMultithreadedMolSupplier 81: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testMultithreadedMolSupplier 81: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 81: Test timeout computed to be: 7200 79: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Spurious data before the first property will be ignored 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Spurious data before the first property will be ignored 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Property will be truncated after the first blank line 79: [14:25:49] ERROR: End of data field name not found 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Explicit valence for atom # 0 F, 2, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule ending on line 16 79: [14:25:49] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 79: [14:25:49] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] ERROR: Bond line too short: 'M END' on line 18 79: [14:25:49] ERROR: moving to the beginning of the next molecule 81: [14:25:49] 81: ----------------------------------------- 79: build: 79: [14:25:49] ERROR: Cannot convert 'foo' to unsigned int on line 557 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 79: [14:25:49] ERROR: Smiles parse error on line 1 79: [14:25:49] ERROR: Cannot create molecule from : 'c1ccccc' 79: [14:25:49] SMILES Parse Error: extra open parentheses while parsing: C(C 79: [14:25:49] SMILES Parse Error: check for mistakes around position 2: 79: [14:25:49] C(C 79: [14:25:49] ~^ 79: [14:25:49] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 79: [14:25:49] ERROR: Smiles parse error on line 3 79: [14:25:49] ERROR: Cannot create molecule from : 'C(C' 79: [14:25:49] Explicit valence for atom # 1 C, 5, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule on line 5 79: [14:25:49] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 79: [14:25:49] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule ending on line 21 79: [14:25:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule ending on line 21 79: [14:25:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule ending on line 21 79: [14:25:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Atom line too short: ' -9.6' on line 28 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Could not sanitize molecule ending on line 21 79: [14:25:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 79: [14:25:49] ERROR: Atom line too short: ' -9.6' on line 28 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: [14:25:49] Ignoring invalid chirality label: '7_S_8_9_6_10' 79: [14:25:49] BEGIN SGROUP found but Sgroups NOT expected on line 26 79: [14:25:49] Found 1 SGroups when 0 were expected. 79: 79: [14:25:49] ERROR: Problems encountered parsing data fields 79: [14:25:49] ERROR: moving to the beginning of the next molecule 79: =============================================================================== 79: All tests passed (1402 assertions in 42 test cases) 79: 74/272 Test #79: testMolSupplier ........................ Passed 0.27 sec test 82 Start 82: testMolWriter 82: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testMolWriter 82: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 82: Test timeout computed to be: 7200 76: [14:25:49] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 76: [14:25:49] SMARTS Parse Error: check for mistakes around position 1: 76: [14:25:49] MyDogHasFleas 76: [14:25:49] ^ 76: [14:25:49] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 76: [14:25:49] Empty atom list: 'M ALS 1 0 F' on line 8. 76: C 76: [14:25:49] ------------------------------------- 76: [14:25:49] Test multithreading Locale Switching 76: [14:25:49] Test multithreading (Done) 76: [14:25:49] ------------------------------------- 76: *************************************** 76: *************************************** 76: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 76: [14:25:49] bond with order 0 found on line 7. This is not part of the MDL specification. 76: [14:25:49] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 76: [14:25:49] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 76: [14:25:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: generating smiles 76: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 76: converting back 76: check isomorphism 82: [14:25:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 82: 0.40201265 0.40201265 82: -0.13299436 -0.13299436 82: 1.00000017 1.00000017 82: 0.8762226 0.8762226 82: 0.9973909 0.9973909 82: 1.00000003 1.00000003 82: 0.36613799 0.36613799 82: 2.1107185 2.1107185 82: 0.99999982 0.99999982 82: 2.48696157 2.48696157 82: 1.00479935 1.00479935 82: 0.99999999 0.99999999 82: 3.03311841 3.03311841 82: 2.23739955 2.23739955 82: 1.0000001 1.0000001 82: 3.00772337 3.00772337 82: 0.37399294 0.37399294 82: 2.07713325 2.07713325 82: 3.0077234 3.0077234 82: 0.37399312 0.37399312 82: -0.07713336 -0.07713336 82: [14:25:49] bond with order 0 found on line 11. This is not part of the MDL specification. 82: [14:25:49] bond with order 0 found on line 16. This is not part of the MDL specification. 75/272 Test #82: testMolWriter .......................... Passed 0.27 sec test 83 Start 83: testTplParser 83: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testTplParser 83: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 83: Test timeout computed to be: 7200 76/272 Test #83: testTplParser .......................... Passed 0.03 sec test 84 Start 84: testMol2ToMol 84: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testMol2ToMol 84: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 84: Test timeout computed to be: 7200 77/272 Test #84: testMol2ToMol .......................... Passed 0.03 sec test 85 Start 85: testSequence 85: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testSequence 85: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 85: Test timeout computed to be: 7200 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 85: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 85: HELM: PEPTIDE1{T.T.C.C.P.S.I.V.A.R.S.N.F.N.V.C.R.L.P.G.T.P.E.A.I.C.A.T.Y.T.G.C.I.I.I.P.G.A.T.C.P.G.D.Y.A.N}$$$$ 85: Smiles: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O 85: PDB: 85: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 5 85: CONECT 3 4 4 8 85: CONECT 5 6 7 85: CONECT 8 9 85: CONECT 9 10 12 85: CONECT 10 11 11 15 85: CONECT 12 13 14 85: CONECT 15 16 85: CONECT 16 17 19 85: CONECT 17 18 18 21 85: CONECT 19 20 85: CONECT 21 22 85: CONECT 22 23 25 85: CONECT 23 24 24 27 85: CONECT 25 26 85: CONECT 27 28 33 85: CONECT 28 29 31 85: CONECT 29 30 30 34 85: CONECT 31 32 85: CONECT 32 33 85: CONECT 34 35 85: CONECT 35 36 38 85: CONECT 36 37 37 40 85: CONECT 38 39 85: CONECT 40 41 85: CONECT 41 42 44 85: CONECT 42 43 43 48 85: CONECT 44 45 46 85: CONECT 46 47 85: CONECT 48 49 85: CONECT 49 50 52 85: CONECT 50 51 51 55 85: CONECT 52 53 54 85: CONECT 55 56 85: CONECT 56 57 59 85: CONECT 57 58 58 60 85: CONECT 60 61 85: CONECT 61 62 64 85: CONECT 62 63 63 71 85: CONECT 64 65 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 67 68 85: CONECT 68 69 69 70 85: CONECT 71 72 85: CONECT 72 73 75 85: CONECT 73 74 74 77 85: CONECT 75 76 85: CONECT 77 78 85: CONECT 78 79 81 85: CONECT 79 80 80 85 85: CONECT 81 82 85: CONECT 82 83 83 84 85: CONECT 85 86 85: CONECT 86 87 89 85: CONECT 87 88 88 96 85: CONECT 89 90 85: CONECT 90 91 91 92 85: CONECT 91 93 85: CONECT 92 94 94 85: CONECT 93 95 95 85: CONECT 94 95 85: CONECT 96 97 85: CONECT 97 98 100 85: CONECT 98 99 99 104 85: CONECT 100 101 85: CONECT 101 102 102 103 85: CONECT 104 105 85: CONECT 105 106 108 85: CONECT 106 107 107 111 85: CONECT 108 109 110 85: CONECT 111 112 85: CONECT 112 113 115 85: CONECT 113 114 114 117 85: CONECT 115 116 85: CONECT 117 118 85: CONECT 118 119 121 85: CONECT 119 120 120 128 85: CONECT 121 122 85: CONECT 122 123 85: CONECT 123 124 85: CONECT 124 125 85: CONECT 125 126 126 127 85: CONECT 128 129 85: CONECT 129 130 132 85: CONECT 130 131 131 136 85: CONECT 132 133 85: CONECT 133 134 135 85: CONECT 136 137 142 85: CONECT 137 138 140 85: CONECT 138 139 139 143 85: CONECT 140 141 85: CONECT 141 142 85: CONECT 143 144 85: CONECT 144 145 85: CONECT 145 146 146 147 85: CONECT 147 148 85: CONECT 148 149 151 85: CONECT 149 150 150 154 85: CONECT 151 152 153 85: CONECT 154 155 160 85: CONECT 155 156 158 85: CONECT 156 157 157 161 85: CONECT 158 159 85: CONECT 159 160 85: CONECT 161 162 85: CONECT 162 163 165 85: CONECT 163 164 164 170 85: CONECT 165 166 85: CONECT 166 167 85: CONECT 167 168 168 169 85: CONECT 170 171 85: CONECT 171 172 174 85: CONECT 172 173 173 175 85: CONECT 175 176 85: CONECT 176 177 179 85: CONECT 177 178 178 183 85: CONECT 179 180 181 85: CONECT 181 182 85: CONECT 183 184 85: CONECT 184 185 187 85: CONECT 185 186 186 189 85: CONECT 187 188 85: CONECT 189 190 85: CONECT 190 191 193 85: CONECT 191 192 192 194 85: CONECT 194 195 85: CONECT 195 196 198 85: CONECT 196 197 197 201 85: CONECT 198 199 200 85: CONECT 201 202 85: CONECT 202 203 205 85: CONECT 203 204 204 213 85: CONECT 205 206 85: CONECT 206 207 208 208 85: CONECT 207 209 209 85: CONECT 208 210 85: CONECT 209 211 85: CONECT 210 211 211 85: CONECT 211 212 85: CONECT 213 214 85: CONECT 214 215 217 85: CONECT 215 216 216 220 85: CONECT 217 218 219 85: CONECT 220 221 85: CONECT 221 222 85: CONECT 222 223 223 224 85: CONECT 224 225 85: CONECT 225 226 228 85: CONECT 226 227 227 230 85: CONECT 228 229 85: CONECT 230 231 85: CONECT 231 232 234 85: CONECT 232 233 233 238 85: CONECT 234 235 236 85: CONECT 236 237 85: CONECT 238 239 85: CONECT 239 240 242 85: CONECT 240 241 241 246 85: CONECT 242 243 244 85: CONECT 244 245 85: CONECT 246 247 85: CONECT 247 248 250 85: CONECT 248 249 249 254 85: CONECT 250 251 252 85: CONECT 252 253 85: CONECT 254 255 260 85: CONECT 255 256 258 85: CONECT 256 257 257 261 85: CONECT 258 259 85: CONECT 259 260 85: CONECT 261 262 85: CONECT 262 263 85: CONECT 263 264 264 265 85: CONECT 265 266 85: CONECT 266 267 269 85: CONECT 267 268 268 270 85: CONECT 270 271 85: CONECT 271 272 274 85: CONECT 272 273 273 277 85: CONECT 274 275 276 85: CONECT 277 278 85: CONECT 278 279 281 85: CONECT 279 280 280 283 85: CONECT 281 282 85: CONECT 283 284 289 85: CONECT 284 285 287 85: CONECT 285 286 286 290 85: CONECT 287 288 85: CONECT 288 289 85: CONECT 290 291 85: CONECT 291 292 85: CONECT 292 293 293 294 85: CONECT 294 295 85: CONECT 295 296 298 85: CONECT 296 297 297 302 85: CONECT 298 299 85: CONECT 299 300 300 301 85: CONECT 302 303 85: CONECT 303 304 306 85: CONECT 304 305 305 314 85: CONECT 306 307 85: CONECT 307 308 309 309 85: CONECT 308 310 310 85: CONECT 309 311 85: CONECT 310 312 85: CONECT 311 312 312 85: CONECT 312 313 85: CONECT 314 315 85: CONECT 315 316 318 85: CONECT 316 317 317 319 85: CONECT 319 320 85: CONECT 320 321 323 85: CONECT 321 322 322 327 85: CONECT 323 324 85: CONECT 324 325 325 326 85: END 85: 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 85: Sequence: CYIQNCPLG 85: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ 85: Smiles: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 85: PDB: 85: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S 85: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N 85: CONECT 1 2 85: CONECT 2 3 5 85: CONECT 3 4 4 7 85: CONECT 5 6 85: CONECT 6 49 85: CONECT 7 8 85: CONECT 8 9 11 85: CONECT 9 10 10 19 85: CONECT 11 12 85: CONECT 12 13 14 14 85: CONECT 13 15 15 85: CONECT 14 16 85: CONECT 15 17 85: CONECT 16 17 17 85: CONECT 17 18 85: CONECT 19 20 85: CONECT 20 21 23 85: CONECT 21 22 22 27 85: CONECT 23 24 25 85: CONECT 25 26 85: CONECT 27 28 85: CONECT 28 29 31 85: CONECT 29 30 30 36 85: CONECT 31 32 85: CONECT 32 33 85: CONECT 33 34 34 35 85: CONECT 36 37 85: CONECT 37 38 40 85: CONECT 38 39 39 44 85: CONECT 40 41 85: CONECT 41 42 42 43 85: CONECT 44 45 85: CONECT 45 46 48 85: CONECT 46 47 47 50 85: CONECT 48 49 85: CONECT 50 51 56 85: CONECT 51 52 54 85: CONECT 52 53 53 57 85: CONECT 54 55 85: CONECT 55 56 85: CONECT 57 58 85: CONECT 58 59 61 85: CONECT 59 60 60 65 85: CONECT 61 62 85: CONECT 62 63 64 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 67 68 68 69 85: END 85: 85: Sequence: LfPVXLfPVX 85: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$ 85: Smiles: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O 85: PDB: 85: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N 85: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O 85: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C 85: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N 85: CONECT 1 2 77 85: CONECT 2 3 5 85: CONECT 3 4 4 9 85: CONECT 5 6 85: CONECT 6 7 8 85: CONECT 9 10 85: CONECT 10 11 13 85: CONECT 11 12 12 20 85: CONECT 13 14 85: CONECT 14 15 15 16 85: CONECT 15 17 85: CONECT 16 18 18 85: CONECT 17 19 19 85: CONECT 18 19 85: CONECT 20 21 26 85: CONECT 21 22 24 85: CONECT 22 23 23 27 85: CONECT 24 25 85: CONECT 25 26 85: CONECT 27 28 85: CONECT 28 29 31 85: CONECT 29 30 30 34 85: CONECT 31 32 33 85: CONECT 34 35 85: CONECT 35 36 38 85: CONECT 36 37 37 42 85: CONECT 38 39 85: CONECT 39 40 85: CONECT 40 41 85: CONECT 42 43 85: CONECT 43 44 46 85: CONECT 44 45 45 50 85: CONECT 46 47 85: CONECT 47 48 49 85: CONECT 50 51 85: CONECT 51 52 54 85: CONECT 52 53 53 61 85: CONECT 54 55 85: CONECT 55 56 56 57 85: CONECT 56 58 85: CONECT 57 59 59 85: CONECT 58 60 60 85: CONECT 59 60 85: CONECT 61 62 67 85: CONECT 62 63 65 85: CONECT 63 64 64 68 85: CONECT 65 66 85: CONECT 66 67 85: CONECT 68 69 85: CONECT 69 70 72 85: CONECT 70 71 71 75 85: CONECT 72 73 74 85: CONECT 75 76 85: CONECT 76 77 79 85: CONECT 77 78 78 85: CONECT 79 80 85: CONECT 80 81 85: CONECT 81 82 85: END 85: 85: Sequence: GREG 85: HELM: PEPTIDE1{G.R.E.G}$$$$ 85: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O 85: PDB: 85: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 85: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 85: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 85: CONECT 1 2 85: CONECT 2 3 85: CONECT 3 4 4 5 85: CONECT 5 6 85: CONECT 6 7 9 85: CONECT 7 8 8 16 85: CONECT 9 10 85: CONECT 10 11 85: CONECT 11 12 85: CONECT 12 13 85: CONECT 13 14 14 15 85: CONECT 16 17 85: CONECT 17 18 20 85: CONECT 18 19 19 25 85: CONECT 20 21 85: CONECT 21 22 85: CONECT 22 23 23 24 85: CONECT 25 26 85: CONECT 26 27 85: CONECT 27 28 28 29 85: END 85: 78/272 Test #85: testSequence ........................... Passed 0.03 sec test 86 Start 86: testExtendedStereoParsing 86: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testExtendedStereoParsing 86: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 86: Test timeout computed to be: 7200 79/272 Test #86: testExtendedStereoParsing .............. Passed 0.02 sec test 87 Start 87: fileParsersCatchTest 87: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 87: Test timeout computed to be: 7200 87: Randomness seeded to: 1817081917 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 29 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 87: [14:25:49] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 87: [14:25:49] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 35 87: [14:25:49] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 87: [14:25:49] SGroup SAP line too short: 'M SAP 2 1 12' on line 38 87: [14:25:49] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 87: [14:25:49] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 87: [14:25:49] Could not infer missing lvIdx on malformed SAP line for SGroup 1 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup 3 referenced on line 40 not found. 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no bonds 87: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: !d_bonds.empty() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x000000000006C304 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] SGroup 3 referenced on line 40 not found. 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no bonds 87: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: !d_bonds.empty() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000006C368 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 15# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] no bonds 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup line too short: 'M SBV 1 6' on line 42 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] SGroup line too short: 'M SBL 2 3 9 10' on line 46 87: [14:25:49] SGroup 2 is invalid and will be ignored 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x000000000006CAB4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CB18 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] bookmark not found 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bond is not part of the SubstanceGroup 87: Violation occurred on line 200 in file ./Code/GraphMol/SubstanceGroup.cpp 87: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end() 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7F08 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CB18 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] bond is not part of the SubstanceGroup 87: [14:25:49] SGroup 2 is invalid and will be ignored 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x000000000006CD44 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map, std::allocator > >&, RDKit::RWMol*, std::__cxx11::basic_string, std::allocator > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000C7D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# 0x000000000006CDA8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] bookmark not found 87: [14:25:49] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup. 87: [14:25:49] SGroup 2 is invalid and will be ignored 87: [14:25:49] invalid value in V3000 array 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] invalid value in V3000 array 87: [14:25:49] SGroup 1 is invalid and will be ignored 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000006B334 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 19# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_bondBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000006B3B0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] bookmark not found 87: [14:25:49] SGroup 2 is invalid and will be ignored 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000009F474 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000006B604 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 19# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: bookmark not found 87: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: (lu != d_atomBookmarks.end()) 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string, std::allocator > const&, std::__cxx11::basic_stringstream, std::allocator >&, std::vector, std::allocator >, std::allocator, std::allocator > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000006B680 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] bookmark not found 87: [14:25:49] SGroup 2 is invalid and will be ignored 87: [14:25:49] Explicit valence for atom # 2 O, 3, is greater than permitted 87: [14:25:49] Explicit valence for atom # 1 O, 3, is greater than permitted 87: [14:25:49] Explicit valence for atom # 1 C, 5, is greater than permitted 87: [14:25:49] sanitize [14:25:49] UNK: [14:25:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:25:49] skipping block at line 7: 'BEGIN ATOM' 87: ATOM 1 CHLO CHL 0 0.000 0.000 0.000 1.00 0.00 CL 87: END 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 171 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057908 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 186 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057AA8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 411 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000057DE8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 268 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp 87: Failed Expression: dp_inStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000058088 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no stream 87: Violation occurred on line 595 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 87: Failed Expression: dp_sInStream != nullptr 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x000000000009F9DC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 4# 0x0000000000058288 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] Found a SCD/SED line with missing/empty SDT specification at line 21 87: [14:25:49] Found a SCD/SED line with missing/empty SDT specification at line 20 87: [14:25:49] BEGIN SGROUP line not found on line 14 87: [14:25:49] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped. 87: [14:25:49] END SGROUP line not found on line 19 87: [14:25:49] END SGROUP line not found on line 21 87: [14:25:49] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring. 87: [14:25:49] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring. 87: [14:25:49] 87: 87: **** 87: Range Error 87: idx 87: Violation occurred on line 322 in file ./Code/GraphMol/ROMol.cpp 87: Failed Expression: 99 < 9 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 87: 3# 0x00000000000D9E2C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# 0x000000000009F570 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x0000000000053100 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 16# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring. 87: [14:25:49] Multiple ATTCHPT values for atom 2 on line 9 87: [14:25:49] Found a SCD/SED line with missing/empty SDT specification at line 12 87: [14:25:49] SMARTS Parse Error: syntax error while parsing: [#6;R 87: [14:25:49] SMARTS Parse Error: check for mistakes around position 5: 87: [14:25:49] [#6;R 87: [14:25:49] ~~~~^ 87: [14:25:49] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R' 87: [14:25:49] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it. 87: [14:25:49] Skipping empty SMARTS value for SMARTSQ. 87: [14:25:49] unrecognized QUERYOP '>' for SMARTSQ. Query ignored. 87: [14:25:49] Found a SCD/SED line with missing/empty SDT specification at line 12 87: [14:25:49] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:25:49] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:25:49] WARNING: Skipping property bar because the value includes an illegal blank line 87: [14:25:49] WARNING: Skipping property baz because the value includes an illegal blank line 87: [14:25:49] WARNING: Skipping property bletch 87: nope because the name includes a newline 87: [14:25:49] WARNING: Skipping property bletch 87: nope2 because the name includes a newline 87: [14:25:49] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000D0214 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000D2694 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000003A260 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000D0214 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000D2694 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x0000000000039C48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x000000000003A200 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] 87: 87: **** 87: Post-condition Violation 87: Element 'QQQ' not found 87: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 87: Failed Expression: anum > -1 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 9# 0x0000000000039F60 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 12# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 13# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 14# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 15# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 16# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 17# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 18# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] atom 3 has a negative isotope value. line: 15 87: [14:25:49] Ignoring invalid chirality label: '2_bad_chirality' 87: [14:25:49] 87: 87: **** 87: Pre-condition Violation 87: no input stream 87: Violation occurred on line 562 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 87: Failed Expression: dp_sInStream 87: ---------- 87: Stacktrace: 87: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 87: 2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 87: 4# 0x0000000000075324 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 5# 0x00000000000E538C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 6# 0x00000000000E6A40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 7# 0x00000000000E6E98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 8# 0x00000000000B86E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 9# 0x00000000000B8C4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 10# 0x000000000002AB48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 87: 13# 0x000000000002ABD0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersCatchTest 87: ---------- 87: **** 87: 87: [14:25:49] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 87: [14:25:49] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[14:25:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:25:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 87: [14:25:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 87: [14:25:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 76: [14:25:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 76: [14:25:49] deprecated group abbreviation ignored on line 24 76: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 76: [14:25:49] 76: 76: **** 76: Post-condition Violation 76: Element 'Mv' not found 76: Violation occurred on line 95 in file ./Code/GraphMol/PeriodicTable.h 76: Failed Expression: anum > -1 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 3# 0x00000000000B6B6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 4# 0x00000000000CD0C0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 5# 0x00000000000CDF24 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFileParsers.so.1 76: 9# 0x00000000000340D8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 10# 0x00000000000A4B30 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 11# 0x0000000000013784 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 12# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 13# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 14# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 76: [14:25:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: [14:25:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 76: ---------------------------------- 76: ---------------------------------- 76: [14:25:50] 76: 76: **** 76: Pre-condition Violation 76: rlabel out of range for MDL files 76: Violation occurred on line 872 in file ./Code/GraphMol/Atom.cpp 76: Failed Expression: rlabel >= 0 && rlabel < 100 76: ---------- 76: Stacktrace: 76: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 76: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 76: 3# 0x000000000003FF94 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 4# 0x00000000000A4B90 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 5# 0x0000000000013784 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 76: 8# 0x0000000000014130 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersTest1 76: ---------- 76: **** 76: 76: [14:25:50] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 76: [14:25:50] SMARTS Parse Error: check for mistakes around position 1: 76: [14:25:50] MyDogHasFleas 76: [14:25:50] ^ 76: [14:25:50] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 76: [14:25:50] Empty atom list: 'M ALS 1 0 F' on line 8. 80/272 Test #76: fileParsersTest1 ....................... Passed 2.15 sec test 88 Start 88: macromolsCatchTest 88: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/macromolsCatchTest 88: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 88: Test timeout computed to be: 7200 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 5: Randomness seeded to: 3132107258 5: =============================================================================== 5: All tests passed (120009 assertions in 2 test cases) 5: 81/272 Test #5: testConcurrentQueue .................... Passed 13.26 sec test 89 Start 89: testPropertyLists 89: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/testPropertyLists 89: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 89: Test timeout computed to be: 7200 89: Randomness seeded to: 854908373 89: [14:25:54] Property list atom.iprop.TooLong has incompatible size, 5 elements found; expecting 3. Ignoring it. 89: =============================================================================== 89: All tests passed (115 assertions in 4 test cases) 89: 82/272 Test #89: testPropertyLists ...................... Passed 0.03 sec test 90 Start 90: XYZFileParserCatchTest 90: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/XYZFileParserCatchTest 90: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 90: Test timeout computed to be: 7200 90: Randomness seeded to: 2627801663 90: =============================================================================== 90: All tests passed (100 assertions in 2 test cases) 90: 83/272 Test #90: XYZFileParserCatchTest ................. Passed 0.03 sec test 91 Start 91: cdxmlParserCatchTest 91: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/cdxmlParserCatchTest 91: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 91: Test timeout computed to be: 7200 91: Randomness seeded to: 1018529691 91: [14:25:54] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: [14:25:54] Explicit valence for atom # 3 N, 4, is greater than permitted 91: [14:25:54] CDXMLParser: failed sanitizing skipping fragment 32 91: [14:25:54] Bad bond in CDXML skipping fragment 58... 91: [14:25:54] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: [14:25:54] Bad bond in CDXML skipping fragment 58... 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] WARNING: not removing hydrogen atom without neighbors 91: [14:25:54] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document. 91: [14:25:54] Incomplete atom labelling, cannot make bond 91: [14:25:54] Incomplete atom labelling, cannot make bond 91: [14:25:54] Incomplete atom labelling, cannot make bond 91: [14:25:54] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 91: [14:25:54] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 91: [14:25:54] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast 91: [14:25:54] Failed to parse XML fragment 5 node: b attribute: Order: 5 91: [14:25:54] Invalid or missing fragment id from CDXML fragment, assigning new one... 91: =============================================================================== 91: All tests passed (348 assertions in 11 test cases) 91: 84/272 Test #91: cdxmlParserCatchTest ................... Passed 0.17 sec test 92 Start 92: molfileStereoCatchTest 92: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/molfileStereoCatchTest 92: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 92: Test timeout computed to be: 7200 92: Randomness seeded to: 973617968 92: [14:25:54] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:25:54] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:25:54] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: [14:25:54] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 92: =============================================================================== 92: All tests passed (187 assertions in 8 test cases) 92: 85/272 Test #92: molfileStereoCatchTest ................. Passed 0.04 sec test 93 Start 93: connectTheDotsTest 93: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/connectTheDotsTest 93: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 93: Test timeout computed to be: 7200 93: Randomness seeded to: 3560788889 93: [14:25:54] WARNING: not removing hydrogen atom without neighbors 93: [14:25:54] WARNING: not removing hydrogen atom without neighbors 93: [14:25:54] WARNING: not removing hydrogen atom without neighbors 93: [14:25:54] WARNING: not removing hydrogen atom without neighbors 93: =============================================================================== 93: All tests passed (18 assertions in 2 test cases) 93: 86/272 Test #93: connectTheDotsTest ..................... Passed 0.03 sec test 94 Start 94: v2MolSuppliers 94: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/v2MolSuppliers 94: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 94: Test timeout computed to be: 7200 94: Randomness seeded to: 1005946625 94: [14:25:54] Ignoring invalid chirality label: '12_R_1_3_4_5' 94: [14:25:54] Ignoring invalid chirality label: '12_ANR_1_3_4_15' 94: [14:25:54] Ignoring invalid chirality label: '2_S_1_3_4' 94: [14:25:54] Ignoring invalid chirality label: '2_ANS_1_3_4_5_2' 94: =============================================================================== 94: All tests passed (24 assertions in 6 test cases) 94: 87/272 Test #94: v2MolSuppliers ......................... Passed 0.04 sec test 95 Start 95: v2FileParsersCatchTest 95: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/v2FileParsersCatchTest 95: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 95: Test timeout computed to be: 7200 95: Randomness seeded to: 3842147340 95: =============================================================================== 95: All tests passed (9 assertions in 2 test cases) 95: 88/272 Test #95: v2FileParsersCatchTest ................. Passed 0.03 sec test 96 Start 96: atropisomersCatch 96: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/atropisomersCatch 96: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 96: Test timeout computed to be: 7200 96: Randomness seeded to: 492516547 96: [14:25:54] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 96: [14:25:54] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 96: =============================================================================== 96: All tests passed (88 assertions in 3 test cases) 96: 89/272 Test #96: atropisomersCatch ...................... Passed 0.03 sec test 97 Start 97: fileParsersIteratorsTest 97: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/fileParsersIteratorsTest 97: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 97: Test timeout computed to be: 7200 97: Randomness seeded to: 4285933239 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Bond line too short: 'M END' on line 76 97: [14:25:54] ERROR: moving to the beginning of the next molecule 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Bond line too short: 'M END' on line 76 97: [14:25:54] ERROR: moving to the beginning of the next molecule 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Bond line too short: 'M END' on line 76 97: [14:25:54] ERROR: moving to the beginning of the next molecule 97: [14:25:54] Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Could not sanitize molecule ending on line 36 97: [14:25:54] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 97: [14:25:54] ERROR: Bond line too short: 'M END' on line 76 97: [14:25:54] ERROR: moving to the beginning of the next molecule 97: [14:25:55] Explicit valence for atom # 1 F, 2, is greater than permitted 97: [14:25:55] ERROR: Could not sanitize molecule on line 2 97: [14:25:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 97: [14:25:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:25:55] Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:25:55] ERROR: Could not sanitize molecule on line 4 97: [14:25:55] ERROR: Can't kekulize mol. Unkekulized atoms: 0 1 2 97: [14:25:55] SMILES Parse Error: unclosed ring for input: 'c1cc' 97: [14:25:55] ERROR: Smiles parse error on line 5 97: [14:25:55] ERROR: Cannot create molecule from : 'c1cc' 88: Randomness seeded to: 3886637931 88: [14:25:55] 3D constraint information in mol block ignored at line 46 88: [14:25:55] 3D constraint information in mol block ignored at line 46 88: [14:25:55] 3D constraint information in mol block ignored at line 58 88: [14:25:55] 3D constraint information in mol block ignored at line 58 88: [14:25:55] 3D constraint information in mol block ignored at line 46 88: =============================================================================== 88: All tests passed (381 assertions in 3 test cases) 88: 90/272 Test #88: macromolsCatchTest ..................... Passed 4.80 sec test 98 Start 98: multithreadedSupplierCatchTest 98: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest 98: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FileParsers 98: Test timeout computed to be: 7200 98: Randomness seeded to: 1524496973 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 98: [14:25:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 53: Randomness seeded to: 3414933620 53: [14:25:55] Conflicting single bond directions around double bond at index 8. 53: [14:25:55] BondStereo set to STEREONONE and single bond directions set to NONE. 98: [14:25:55] Explicit valence for atom # 9 N, 5, is greater than permitted 53: =============================================================================== 53: All tests passed (12867 assertions in 17 test cases) 53: 91/272 Test #53: canonTestsCatch ........................ Passed 12.25 sec test 99 Start 99: testSubstructMatch 99: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct 99: Test timeout computed to be: 7200 98: [14:25:55] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:25:55] Explicit valence for atom # 4 Al, 6, is greater than permitted 98: [14:25:55] Explicit valence for atom # 10 Si, 6, is greater than permitted 98: [14:25:55] Explicit valence for atom # 2 O, 4, is greater than permitted 98: [14:25:55] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:25:55] Explicit valence for atom # 3 Be, 4, is greater than permitted 98: [14:25:55] Explicit valence for atom # 27 P, 6, is greater than permitted 99: Randomness seeded to: 1347816145 99: [14:25:56] 99: 99: **** 98: [14:25:56] Explicit valence for atom # 9 N, 5, is greater than permitted 99: Pre-condition Violation 99: matches must not be empty 99: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 99: Failed Expression: !matches.empty() 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 99: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 99: 3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 99: 4# 0x000000000003BC28 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 5# 0x000000000007A82C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 6# 0x000000000007BEE0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 7# 0x000000000007C338 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 8# 0x000000000004DA04 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 9# 0x000000000004DF6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 10# 0x000000000001F568 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 13# 0x000000000001F5F0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: ---------- 99: **** 99: 99: [14:25:56] 99: 99: **** 99: Pre-condition Violation 99: matches must not be empty 99: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 99: Failed Expression: !matches.empty() 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 99: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 99: 3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 99: 4# 0x000000000003BCC4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 5# 0x000000000007A82C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 6# 0x000000000007BEE0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 7# 0x000000000007C338 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 8# 0x000000000004DA04 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 9# 0x000000000004DF6C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 10# 0x000000000001F568 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 99: 13# 0x000000000001F5F0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/testSubstructMatch 99: ---------- 99: **** 99: 99: =============================================================================== 99: All tests passed (60370 assertions in 25 test cases) 99: 92/272 Test #99: testSubstructMatch ..................... Passed 0.49 sec test 100 Start 100: substructTestCatch 100: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct/substructTestCatch 100: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Substruct 100: Test timeout computed to be: 7200 98: [14:25:56] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:25:56] Explicit valence for atom # 4 Al, 6, is greater than permitted 98: [14:25:56] Explicit valence for atom # 10 Si, 6, is greater than permitted 98: [14:25:56] Explicit valence for atom # 2 O, 4, is greater than permitted 98: [14:25:56] Explicit valence for atom # 3 Al, 6, is greater than permitted 98: [14:25:56] Explicit valence for atom # 3 Be, 4, is greater than permitted 100: Randomness seeded to: 4278891844 100: [14:25:56] Substructure search was interrupted, result may not include all matches 100: =============================================================================== 100: All tests passed (321 assertions in 17 test cases) 100: 98: [14:25:56] Explicit valence for atom # 27 P, 6, is greater than permitted 93/272 Test #100: substructTestCatch ..................... Passed 0.29 sec test 101 Start 101: testGenericGroups 101: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GenericGroups/testGenericGroups 101: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GenericGroups 101: Test timeout computed to be: 7200 98: =============================================================================== 98: All tests passed (21562 assertions in 3 test cases) 98: 94/272 Test #98: multithreadedSupplierCatchTest ......... Passed 1.31 sec test 102 Start 102: testReaction 102: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/testReaction 102: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions 102: Test timeout computed to be: 7200 102: smi: O=C1CNC(=O)CN1 102: 1: O=C1CNC(=O)CN1 102: 2: COOC 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 2: 102: [14:25:56] [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:25:56] ~^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 102: O=C1CNC(=O)CN1 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:25:56] atom 0 in product 0 has multiple charge specifications. 102: mass: 15.0001 102: Oc1ccccn1 102: Oc1ccc[nH]1 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 1: 102: [14:25:56] ([C:1](=O)O.[C:2] 102: [14:25:56] ^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: ([C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 1: 102: [14:25:56] ([C:2] 102: [14:25:56] ^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 11: 102: [14:25:56] [C:1](=O)O).[C:2] 102: [14:25:56] ~~~~~~~~~~^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: [C:2]) 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 6: 102: [14:25:56] [C:2]) 102: [14:25:56] ~~~~~^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])' 102: [14:25:56] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:25:56] SMILES Parse Error: check for mistakes around position 2: 102: [14:25:56] [Q:1][C:2][C:3](=[O:4])[O:5] 102: [14:25:56] ~^ 102: [14:25:56] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 102: [14:25:56] reactant 2 has no mapped atoms. 102: [14:25:56] >> Atoms within one molecule have different RXN roles. 102: [14:25:56] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 1: 102: [14:25:56] ([C:1][C:2] 102: [14:25:56] ^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: ([C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 1: 102: [14:25:56] ([C:2] 102: [14:25:56] ^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: [C:1][C:2]) 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 11: 102: [14:25:56] [C:1][C:2]) 102: [14:25:56] ~~~~~~~~~~^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])' 102: [14:25:56] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2] 102: [14:25:56] SMARTS Parse Error: check for mistakes around position 6: 102: [14:25:56] [C:1]).[C:2] 102: [14:25:56] ~~~~~^ 102: [14:25:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]' 102: [14:25:56] reactant 0 has no mapped atoms. 102: [14:25:56] reactant 1 has no mapped atoms. 102: [14:25:56] reactant 3 has no mapped atoms. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 5 found multiple times. 102: [14:25:56] product atom-mapping number 6 found multiple times. 102: [14:25:56] product atom-mapping number 7 found multiple times. 102: [14:25:56] product atom-mapping number 8 found multiple times. 102: [14:25:56] product atom-mapping number 12 found multiple times. 102: [14:25:56] product atom-mapping number 9 found multiple times. 102: [14:25:56] product atom-mapping number 10 found multiple times. 102: [14:25:56] product atom-mapping number 11 found multiple times. 102: [14:25:56] reactant 0 has no mapped atoms. 102: [14:25:56] reactant 1 has no mapped atoms. 102: [14:25:56] reactant 3 has no mapped atoms. 102: [14:25:56] reactant atom-mapping number 19 found multiple times. 102: [14:25:56] reactant atom-mapping number 25 found multiple times. 102: [14:25:56] reactant atom-mapping number 20 found multiple times. 102: [14:25:56] reactant atom-mapping number 21 found multiple times. 102: [14:25:56] reactant atom-mapping number 22 found multiple times. 102: [14:25:56] reactant atom-mapping number 23 found multiple times. 102: [14:25:56] reactant atom-mapping number 24 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 5 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 5 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 5 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 5 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: F[C@](Cl)(Br)O[C@](F)(Cl)Br 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 4 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:25:56] product atom-mapping number 3 found multiple times. 102: [14:25:56] product atom-mapping number 2 found multiple times. 102: [14:25:56] product atom-mapping number 1 found multiple times. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [14:25:56] product atom-mapping number 6 not found in reactants. 102: [14:25:56] product atom-mapping number 7 not found in reactants. 102: [14:25:56] product atom-mapping number 8 not found in reactants. 102: [14:25:56] product atom-mapping number 7 not found in reactants. 102: [14:25:56] product atom-mapping number 8 not found in reactants. 102: [14:25:56] product atom-mapping number 9 not found in reactants. 102: [14:25:56] product atom-mapping number 10 not found in reactants. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 6 102: [14:25:56] product atom-mapping number 7 not found in reactants. 102: [14:25:56] product atom-mapping number 8 not found in reactants. 102: [14:25:56] product atom-mapping number 9 not found in reactants. 102: [14:25:56] product atom-mapping number 10 not found in reactants. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 6 102: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 102: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 102: [14:25:56] product atom-mapping number 17 not found in reactants. 102: [14:25:56] product atom-mapping number 18 not found in reactants. 102: [14:25:56] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 12 102: [14:25:56] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 102: [14:25:56] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 102: 102: [14:25:56] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels 102: ------------- 102: CCOc1ccccc1 102: [14:25:56] reactant 0 has no mapped atoms. 102: [14:25:56] product 0 has no mapped atoms. 102: [14:25:56] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product. 95/272 Test #102: testReaction ........................... Passed 0.39 sec test 103 Start 103: testReactionFingerprints 103: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/testReactionFingerprints 103: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions 103: Test timeout computed to be: 7200 103: [14:25:56] ------------------------------------- 103: [14:25:56] Test Reaction StructuralFingerprint 103: [14:25:56] ------------------------------------- 103: [14:25:56] Test Reaction DifferenceFingerprint 96/272 Test #103: testReactionFingerprints ............... Passed 0.04 sec test 104 Start 104: testEnumeration 104: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/testEnumeration 104: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions 104: Test timeout computed to be: 7200 101: Randomness seeded to: 3429448530 101: =============================================================================== 101: All tests passed (11480 assertions in 38 test cases) 101: 97/272 Test #101: testGenericGroups ...................... Passed 0.48 sec test 105 Start 105: rxnTestCatch 105: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/rxnTestCatch 105: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions 105: Test timeout computed to be: 7200 105: Randomness seeded to: 2099513510 105: [14:25:56] atom 0 in product 0 has multiple charge specifications. 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 34 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 36 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 38 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 40 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 42 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 87 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 89 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 91 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 93 105: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 95 105: [14:25:57] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:25:57] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:25:57] SMARTS Parse Error: unclosed ring for input: 'CC1' 105: [14:25:57] SMILES Parse Error: unclosed ring for input: 'CC1' 105: [14:25:57] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:25:57] product atom-mapping number 2 not found in reactants. 105: [14:25:57] mapped atoms in the reactants were not mapped in the products. 105: unmapped numbers are: 2 105: [14:25:57] product atom-mapping number 2 not found in reactants. 105: [14:25:57] CX Extensions: Substance group hierarchy is not always preserved. 105: [14:25:57] CX Extensions: Substance group hierarchy is not always preserved. 104: 30000000 30000000 105: [14:25:57] reactant 0 has no mapped atoms. 105: [14:25:57] product 0 has no mapped atoms. 105: [14:25:57] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:25:57] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:25:57] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:25:57] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 105: [14:25:57] Explicit valence for atom # 1 O, 5, is greater than permitted 105: =============================================================================== 105: All tests passed (722 assertions in 30 test cases) 105: 98/272 Test #105: rxnTestCatch ........................... Passed 0.10 sec test 106 Start 106: pyChemReactions 106: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 106: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/Wrap 106: Test timeout computed to be: 7200 106: test_cxsmarts_reaction (__main__.CXExtensionsTests.test_cxsmarts_reaction) ... ok 106: test_cxsmiles_reaction (__main__.CXExtensionsTests.test_cxsmiles_reaction) ... ok 106: testCDXML (__main__.StereoGroupTests.testCDXML) ... ok 106: testGithub4651 (__main__.StereoGroupTests.testGithub4651) ... [14:25:57] 106: 106: **** 106: Pre-condition Violation 106: RingInfo not initialized 106: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 106: Failed Expression: df_init 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 106: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 9# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 10# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 11# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector >&, std::map*, std::less, std::allocator*> > >&, RDKit::SubstructMatchParameters const&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 12# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 18# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector, std::allocator > > const&, RDKit::ChemicalReaction const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >, std::allocator, std::allocator > >, std::allocator, std::allocator > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 24# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 106: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 106: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 30# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 106: 31# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 32# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 33# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 106: 34# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 35# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 36# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 37# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 38# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 39# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 40# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 41# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 42# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 43# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 45# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 46# _PyObject_MakeTpCall in /usr/bin/python3 106: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 48# 0x00000000002AADF4 in /usr/bin/python3 106: 49# 0x00000000000AADF0 in /usr/bin/python3 106: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 51# 0x00000000002AADF4 in /usr/bin/python3 106: 52# 0x00000000000AC98C in /usr/bin/python3 106: 53# 0x000000000019A2B8 in /usr/bin/python3 106: 54# _PyObject_MakeTpCall in /usr/bin/python3 106: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 56# 0x00000000002AADF4 in /usr/bin/python3 106: 57# 0x00000000000AADF0 in /usr/bin/python3 106: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 59# 0x00000000002AADF4 in /usr/bin/python3 106: 60# 0x00000000000AC98C in /usr/bin/python3 106: 61# 0x000000000019A2B8 in /usr/bin/python3 106: 62# _PyObject_MakeTpCall in /usr/bin/python3 106: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 64# 0x00000000002AADF4 in /usr/bin/python3 106: 65# 0x00000000000AADF0 in /usr/bin/python3 106: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 67# 0x00000000002AADF4 in /usr/bin/python3 106: 68# 0x00000000000AC98C in /usr/bin/python3 106: 69# 0x000000000019A2B8 in /usr/bin/python3 106: 70# _PyObject_MakeTpCall in /usr/bin/python3 106: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 72# 0x00000000002AADF4 in /usr/bin/python3 106: 73# 0x00000000000ACA74 in /usr/bin/python3 106: 74# 0x0000000000193854 in /usr/bin/python3 106: 75# 0x0000000000189714 in /usr/bin/python3 106: 76# _PyObject_MakeTpCall in /usr/bin/python3 106: 77# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 78# PyEval_EvalCode in /usr/bin/python3 106: 79# 0x000000000033C338 in /usr/bin/python3 106: 80# 0x000000000033ECB8 in /usr/bin/python3 106: 81# 0x000000000033F214 in /usr/bin/python3 106: 82# 0x000000000037E5E8 in /usr/bin/python3 106: 83# Py_BytesMain in /usr/bin/python3 106: 84# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 85# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 86# _start in /usr/bin/python3 106: ---------- 106: **** 106: 106: [14:25:57] 106: 106: **** 106: Pre-condition Violation 106: RingInfo not initialized 106: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 106: Failed Expression: df_init 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 106: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 106: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 9# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 10# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 11# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector >&, std::map*, std::less, std::allocator*> > >&, RDKit::SubstructMatchParameters const&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 12# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 106: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 18# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector, std::allocator > > const&, RDKit::ChemicalReaction const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >, std::allocator, std::allocator > >, std::allocator, std::allocator > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemReactions.so.1 106: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 24# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 106: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 106: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 106: 30# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 106: 31# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 32# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 106: 33# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 106: 34# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 35# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 36# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 37# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 38# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 39# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 106: 40# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 41# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 42# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 43# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 106: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 45# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 106: 46# _PyObject_MakeTpCall in /usr/bin/python3 106: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 48# 0x00000000002AADF4 in /usr/bin/python3 106: 49# 0x00000000000AADF0 in /usr/bin/python3 106: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 51# 0x00000000002AADF4 in /usr/bin/python3 106: 52# 0x00000000000AC98C in /usr/bin/python3 106: 53# 0x000000000019A2B8 in /usr/bin/python3 106: 54# _PyObject_MakeTpCall in /usr/bin/python3 106: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 56# 0x00000000002AADF4 in /usr/bin/python3 106: 57# 0x00000000000AADF0 in /usr/bin/python3 106: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 59# 0x00000000002AADF4 in /usr/bin/python3 106: 60# 0x00000000000AC98C in /usr/bin/python3 106: 61# 0x000000000019A2B8 in /usr/bin/python3 106: 62# _PyObject_MakeTpCall in /usr/bin/python3 106: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 64# 0x00000000002AADF4 in /usr/bin/python3 106: 65# 0x00000000000AADF0 in /usr/bin/python3 106: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 67# 0x00000000002AADF4 in /usr/bin/python3 106: 68# 0x00000000000AC98C in /usr/bin/python3 106: 69# 0x000000000019A2B8 in /usr/bin/python3 106: 70# _PyObject_MakeTpCall in /usr/bin/python3 106: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 72# 0x00000000002AADF4 in /usr/bin/python3 106: 73# 0x00000000000ACA74 in /usr/bin/python3 106: 74# 0x0000000000193854 in /usr/bin/python3 106: 75# 0x0000000000189714 in /usr/bin/python3 106: 76# _PyObject_MakeTpCall in /usr/bin/python3 106: 77# _PyEval_EvalFrameDefault in /usr/bin/python3 106: 78# PyEval_EvalCode in /usr/bin/python3 106: 79# 0x000000000033C338 in /usr/bin/python3 106: 80# 0x000000000033ECB8 in /usr/bin/python3 106: 81# 0x000000000033F214 in /usr/bin/python3 106: 82# 0x000000000037E5E8 in /usr/bin/python3 106: 83# Py_BytesMain in /usr/bin/python3 106: 84# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 85# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 106: 86# _start in /usr/bin/python3 106: ---------- 106: **** 106: 106: ok 106: testGithub6138 (__main__.StereoGroupTests.testGithub6138) ... ok 106: testGithub6211 (__main__.StereoGroupTests.testGithub6211) ... ok 106: testMrvBlockContainsReaction (__main__.StereoGroupTests.testMrvBlockContainsReaction) ... ok 106: testMrvOutput (__main__.StereoGroupTests.testMrvOutput) ... /usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmptqzy9t03.mrv'>> 106: _warnings.warn(self.warn_message, ResourceWarning) 106: ok 106: testPickleCompatibility (__main__.StereoGroupTests.testPickleCompatibility) ... ok 106: testReactionInPlace (__main__.StereoGroupTests.testReactionInPlace) ... ok 106: testSanitizeRxnAsMols (__main__.StereoGroupTests.testSanitizeRxnAsMols) ... ok 106: testSmilesWriteParams (__main__.StereoGroupTests.testSmilesWriteParams) ... ok 106: testV3000Reactions (__main__.StereoGroupTests.testV3000Reactions) ... ok 106: test_github (__main__.StereoGroupTests.test_github) ... [14:25:57] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:25:57] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:25:57] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: [14:25:57] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 106: ok 106: test_reaction_copies_stereogroup (__main__.StereoGroupTests.test_reaction_copies_stereogroup) 106: If multiple copies of an atom in StereoGroup show up in the product, they ... [14:25:57] product atom-mapping number 1 found multiple times. 106: [14:25:57] product atom-mapping number 1 found multiple times. 106: ok 106: test_reaction_defines_stereo (__main__.StereoGroupTests.test_reaction_defines_stereo) 106: StereoGroup atoms are in the reaction, and the reaction creates the specified ... ok 106: test_reaction_destroys_stereo (__main__.StereoGroupTests.test_reaction_destroys_stereo) 106: StereoGroup atoms are in the reaction, and the reaction destroys the specified ... ok 106: test_reaction_ignores_stereo (__main__.StereoGroupTests.test_reaction_ignores_stereo) 106: StereoGroup atoms are in the reaction, but the reaction doesn't specify the ... ok 106: test_reaction_inverts_stereo (__main__.StereoGroupTests.test_reaction_inverts_stereo) 106: StereoGroup atoms are in the reaction, and the reaction inverts the specified ... ok 106: test_reaction_preserves_stereo (__main__.StereoGroupTests.test_reaction_preserves_stereo) 106: StereoGroup atoms are in the reaction, but the reaction doesn't affect ... ok 106: test_reaction_splits_stereogroup (__main__.StereoGroupTests.test_reaction_splits_stereogroup) 106: StereoGroup atoms are split into two products by the reaction ... ok 106: test_rxnblock_removehs (__main__.StereoGroupTests.test_rxnblock_removehs) ... ok 106: test_stereogroup_is_spectator_to_reaction (__main__.StereoGroupTests.test_stereogroup_is_spectator_to_reaction) 106: StereoGroup atoms are not in the reaction ... ok 106: test10DotSeparation (__main__.TestCase.test10DotSeparation) ... ok 106: test11ImplicitProperties (__main__.TestCase.test11ImplicitProperties) ... ok 106: test12Pickles (__main__.TestCase.test12Pickles) ... ok 106: test13GetTemplates (__main__.TestCase.test13GetTemplates) ... ok 106: test14Matchers (__main__.TestCase.test14Matchers) ... ok 106: test15Replacements (__main__.TestCase.test15Replacements) ... ok 106: test16GetReactingAtoms (__main__.TestCase.test16GetReactingAtoms) ... ok 106: test17AddRecursiveQueriesToReaction (__main__.TestCase.test17AddRecursiveQueriesToReaction) ... [14:25:57] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: [14:25:57] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: ok 106: test17bAddRecursiveQueriesToReaction (__main__.TestCase.test17bAddRecursiveQueriesToReaction) ... [14:25:57] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 3 106: ok 106: test18GithubIssue16 (__main__.TestCase.test18GithubIssue16) ... ok 106: test19RemoveUnmappedMoleculesToAgents (__main__.TestCase.test19RemoveUnmappedMoleculesToAgents) ... [14:25:57] reactant 2 has no mapped atoms. 106: [14:25:57] reactant 2 has no mapped atoms. 106: [14:25:57] product 1 has no mapped atoms. 106: ok 106: test1Basics (__main__.TestCase.test1Basics) ... ok 106: test20CheckCopyConstructedReactionAtomProps (__main__.TestCase.test20CheckCopyConstructedReactionAtomProps) ... ok 106: test21CheckRawIters (__main__.TestCase.test21CheckRawIters) ... ok 106: test22RunSingleReactant (__main__.TestCase.test22RunSingleReactant) ... ok 106: test23CheckNonProduct (__main__.TestCase.test23CheckNonProduct) ... ok 106: test2DaylightParser (__main__.TestCase.test2DaylightParser) ... ok 106: test3MDLParsers (__main__.TestCase.test3MDLParsers) ... ok 106: test4ErrorHandling (__main__.TestCase.test4ErrorHandling) ... [14:25:57] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 14: 106: [14:25:57] [C:1](=[O:2])Q 106: [14:25:57] ~~~~~~~~~~~~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q' 106: [14:25:57] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 19: 106: [14:25:57] [C:1](=[O:2])[N:3]Q 106: [14:25:57] ~~~~~~~~~~~~~~~~~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q' 106: ok 106: test5Validation (__main__.TestCase.test5Validation) ... [14:25:57] reactant atom-mapping number 1 found multiple times. 106: [14:25:57] product atom-mapping number 2 not found in reactants. 106: [14:25:57] mapped atoms in the reactants were not mapped in the products. 106: unmapped numbers are: 4 106: [14:25:57] product atom-mapping number 5 not found in reactants. 106: ok 106: test6Exceptions (__main__.TestCase.test6Exceptions) ... ok 106: test8Properties (__main__.TestCase.test8Properties) ... ok 106: test9AromaticityTransfer (__main__.TestCase.test9AromaticityTransfer) ... ok 106: testGitHub1868 (__main__.TestCase.testGitHub1868) ... ok 106: testMaxProducts (__main__.TestCase.testMaxProducts) ... ok 106: testPreprocess (__main__.TestCase.testPreprocess) ... ok 106: testProperties (__main__.TestCase.testProperties) ... ok 106: testReactionFromSmiles (__main__.TestCase.testReactionFromSmiles) ... ok 106: testRoundTripException (__main__.TestCase.testRoundTripException) ... ok 106: test_PNGMetadata (__main__.TestCase.test_PNGMetadata) ... /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:753: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'> 106: png = open(fname, 'rb').read() 106: ResourceWarning: Enable tracemalloc to get the object allocation traceback 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 34 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 36 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 38 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 40 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 42 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 87 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 89 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 91 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 93 106: [14:25:57] Found a SCD/SED line with missing/empty SDT specification at line 95 106: ok 106: EnumerateReaction (rdkit.Chem.SimpleEnum.Enumerator) 106: Doctest: rdkit.Chem.SimpleEnum.Enumerator.EnumerateReaction ... ok 106: PreprocessReaction (rdkit.Chem.SimpleEnum.Enumerator) 106: Doctest: rdkit.Chem.SimpleEnum.Enumerator.PreprocessReaction ... [14:25:57] SMARTS Parse Error: syntax error while parsing: boromicacid 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] boromicacid 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 106: [14:25:57] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] carboxylicacid,acidchlroide 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 106: [14:25:57] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] carboxyliccaid,acidchloride 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 106: [14:25:57] reaction has no reactants 106: [14:25:57] reaction has no products 106: [14:25:57] initialization failed 106: [14:25:57] reaction has no reactants 106: [14:25:57] reaction has no products 106: ok 106: PreprocessReaction (TestPreprocess) 106: Doctest: TestPreprocess.PreprocessReaction ... [14:25:57] SMARTS Parse Error: syntax error while parsing: boromicacid 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] boromicacid 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 106: [14:25:57] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] carboxylicacid,acidchlroide 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 106: [14:25:57] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 106: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 106: [14:25:57] carboxyliccaid,acidchloride 106: [14:25:57] ~~^ 106: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 106: [14:25:57] reaction has no reactants 106: [14:25:57] reaction has no products 106: [14:25:57] initialization failed 106: [14:25:57] reaction has no reactants 106: [14:25:57] reaction has no products 106: ok 106: 106: ---------------------------------------------------------------------- 106: Ran 56 tests in 0.159s 106: 106: OK 106: ******************************************** 106: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/AmideBond.rxn 106: 87: [14:25:57] Seen a second ABS stereo group on line 26 87: 87: [14:25:57] Atom 4 appears more than once in stereo group specification on line 27! 87: [14:25:57] : Warning - no explicit hydrogens in mol2 file but needed for formal charge estimation. 87: [14:25:57] : Warning - no explicit hydrogens in mol2 file but needed for formal charge estimation. 87: =============================================================================== 87: All tests passed (1705 assertions in 109 test cases) 87: 99/272 Test #87: fileParsersCatchTest ................... Passed 8.25 sec test 107 Start 107: pyChemReactionEnumerations 107: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py" 107: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/Wrap 107: Test timeout computed to be: 7200 100/272 Test #106: pyChemReactions ........................ Passed 0.67 sec test 108 Start 108: pyChemReactionSanitize 108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testSanitize.py" 108: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemReactions/Wrap 108: Test timeout computed to be: 7200 108: .[14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: .[14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] reactant 0 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] product 0 has no mapped atoms. 108: [14:25:57] Could not find RLabel mapping for atom: 0 in template: 1 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: [14:25:57] reactant 1 has no mapped atoms. 108: .. 108: ---------------------------------------------------------------------- 108: Ran 4 tests in 0.019s 108: 108: OK 108: () 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 * 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 * 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 * 108: V 2 * 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 1 108: V 1 halogen.bromine.aromatic 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 2 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 2 1 1 2 2 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M RGP 1 1 2 108: V 1 [*:2] 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 108: 1 2 1 0 108: M RGP 2 1 1 2 2 108: V 1 [*:1] 108: V 2 [*:2] 108: M END 108: 108: ******************************************** 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 1 108: V 1 halogen.bromine.aromatic 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 3 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 2 1 1 2 2 108: M END 108: 108: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 108: $RXN 108: 108: RDKit 108: 108: 2 1 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 1 0 0 0 0 0 0999 V2000 108: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 108: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 1 2 1 0 108: M RGP 1 2 1 108: V 1 halogen.bromine.aromatic 108: V 2 [*:1] 108: M STY 1 1 DAT 108: M SAL 1 1 1 108: M SED 1 [#35&$([Br&$(Br-&!@c)])] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 4 3 0 1 0 0 0 0 0 0999 V2000 108: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108: 2 3 1 0 108: 1 2 1 0 108: 2 4 1 0 108: M ISO 1 1 3 108: V 2 boronicacid 108: M STY 1 1 DAT 108: M SAL 1 1 2 108: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 108: M END 108: $MOL 108: 108: RDKit 2D 108: 108: 2 1 0 0 0 0 0 0 0 0999 V2000 108: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 108: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 108: 1 2 1 0 108: M ISO 1 2 2 108: M RGP 1 1 1 108: V 1 [*:1] 108: M END 108: 108: $RXN Failed 101/272 Test #108: pyChemReactionSanitize ................. Passed 0.22 sec test 109 Start 109: testChemTransforms 109: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/testChemTransforms 109: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms 109: Test timeout computed to be: 7200 109: 1 smi: CC 109: 1 smi: CC 109: 2 smi: CCO[C@H](N)P 109: 2 smi: CC 109: replaceSub smi1:CCP(CC)[C@@H](N)O 109: replaceSub smi1:CCNCC 109: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O 109: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O 109: [14:25:57] SMARTS Parse Error: syntax error while parsing: bar 109: [14:25:57] SMARTS Parse Error: check for mistakes around position 3: 109: [14:25:57] bar 109: [14:25:57] ~~^ 109: [14:25:57] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar' 102/272 Test #109: testChemTransforms ..................... Passed 0.07 sec test 110 Start 110: chemTransformsTestCatch 110: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms 110: Test timeout computed to be: 7200 107: [14:25:58] == testCartesianProduct 107: .[14:25:58] == testEnumerateLibrary 107: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:265: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ChemReactions/testData/enumeration.pickle'> 107: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read()) 107: ResourceWarning: Enable tracemalloc to get the object allocation traceback 110: Randomness seeded to: 231334733 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 107: ..[14:25:58] == testRGroupState 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] Incomplete atom labelling, cannot make bond 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] Incomplete atom labelling, cannot make bond 107: .[14:25:58] == testRandomEnumerateAllBBsLibrary 110: [14:25:58] 110: 110: **** 107: ** [1, 1] 107: ** [0, 2] 107: ** [1, 0] 110: Invariant Violation 110: molzip: bond info already exists for end atom with label:1 110: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: !bond.b 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# 0x000000000002D440 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 5# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 6# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 12# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 13# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: [14:25:58] 110: 110: **** 110: Invariant Violation 110: molzip: zipped Bond already exists, perhaps labels are duplicated 110: Violation occurred on line 145 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 110: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx()) 110: ---------- 110: Stacktrace: 110: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 110: 2# 0x000000000005A77C in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 5# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 110: 6# 0x000000000001FA20 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 7# 0x000000000008826C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 8# 0x0000000000089920 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 9# 0x0000000000089D78 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 10# 0x000000000005B4E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 11# 0x000000000005BA4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 12# 0x000000000001E4A8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: 13# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 14# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 110: 15# 0x000000000001E530 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 110: ---------- 110: **** 110: 110: =============================================================================== 110: All tests passed (687 assertions in 15 test cases) 110: 107: .[14:25:58] == testRandomEnumerateLibrary 103/272 Test #110: chemTransformsTestCatch ................ Passed 0.08 sec test 111 Start 111: tautomerQueryTestCatch 111: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch 111: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery 111: Test timeout computed to be: 7200 107: .[14:25:58] == testRandomSample 107: .[14:25:58] == testRandomSampleAllBBs 107: .[14:25:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 107: [14:25:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 107: .[14:25:58] == testRemoveBadMatches 107: .[14:25:58] == testTimings 111: Randomness seeded to: 163560441 111: =============================================================================== 111: All tests passed (112 assertions in 14 test cases) 111: 104/272 Test #111: tautomerQueryTestCatch ................. Passed 0.16 sec test 112 Start 112: pyTautomerQuery 112: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/TautomerQuery/Wrap/rough_test.py" 112: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/TautomerQuery/Wrap 112: Test timeout computed to be: 7200 112: ..... 112: ---------------------------------------------------------------------- 112: Ran 5 tests in 0.034s 112: 112: OK 105/272 Test #112: pyTautomerQuery ........................ Passed 0.24 sec test 113 Start 113: testSubgraphs1 113: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs/testSubgraphs1 113: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs 113: Test timeout computed to be: 7200 81: [14:25:58] Finished: testSmiCorrectness() 81: [14:25:58] ----------------------------------------- 81: 81: [14:25:58] 81: ----------------------------------------- 81: [14:25:58] Spurious data before the first property will be ignored 81: [14:25:58] Property will be truncated after the first blank line 81: [14:25:58] Property will be truncated after the first blank line 81: [14:25:58] Property will be truncated after the first blank line 107: . 107: ---------------------------------------------------------------------- 107: Ran 11 tests in 0.874s 107: 107: OK 107: True 107: == CartesianProductStrategy CartesianProductStrategy 107: 197 out of 300 107: 0 6 out of 10 107: 1 3 out of 5 107: 2 4 out of 6 107: 198 out of 300 107: 0 10 out of 10 107: 1 5 out of 5 107: 2 6 out of 6 107: Skipped 10000000 in 0.05466198921203613 seconds 107: Skipped 10000000 in 0.4752023220062256 seconds 107: Skipped 10000000 in 0.09122610092163086 seconds 106/272 Test #107: pyChemReactionEnumerations ............. Passed 1.23 sec test 114 Start 114: testSubgraphs2 114: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs/testSubgraphs2 114: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs 114: Test timeout computed to be: 7200 114: Randomness seeded to: 2111837176 114: =============================================================================== 114: All tests passed (112 assertions in 5 test cases) 114: 107/272 Test #114: testSubgraphs2 ......................... Passed 0.02 sec test 115 Start 115: subgraphsCatch 115: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs/subgraphsCatch 115: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Subgraphs 115: Test timeout computed to be: 7200 115: Randomness seeded to: 2510264817 115: --------- 115: =============================================================================== 115: All tests passed (30 assertions in 2 test cases) 115: 108/272 Test #115: subgraphsCatch ......................... Passed 0.01 sec test 116 Start 116: filterCatalogTest 116: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FilterCatalog/filterCatalogTest 116: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FilterCatalog 116: Test timeout computed to be: 7200 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason hzone_phenol_A(479) 116: v = { 116: 0,23}, 116: 1,22}, 116: 2,20}, 116: 3,19}, 116: 4,25}, 116: 5,24}, 116: 6,18}, 116: 7,17}, 116: 8,16}, 116: 9,21}, 116: } 116: match = { 116: 0,23}, 116: 1,22}, 116: 2,20}, 116: 3,19}, 116: 4,25}, 116: 5,24}, 116: 6,18}, 116: 7,17}, 116: 8,16}, 116: 9,21}, 116: } 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason cyano_imine_B(17) 116: v = { 116: 0,11}, 116: 1,12}, 116: 2,13}, 116: 3,14}, 116: 4,15}, 116: 5,10}, 116: 6,9}, 116: 7,8}, 116: 8,7}, 116: 9,6}, 116: 10,5}, 116: 11,17}, 116: 12,16}, 116: } 116: match = { 116: 0,11}, 116: 1,12}, 116: 2,13}, 116: 3,14}, 116: 4,15}, 116: 5,10}, 116: 6,9}, 116: 7,8}, 116: 8,7}, 116: 9,6}, 116: 10,5}, 116: 11,17}, 116: 12,16}, 116: } 116: Warning: molecule failed filter 116: Warning: molecule failed filter: reason keto_keto_gamma(5) 116: v = { 116: 0,0}, 116: 1,1}, 116: 2,2}, 116: 3,4}, 116: 4,5}, 116: 5,6}, 116: 6,7}, 116: 7,8}, 116: 8,9}, 116: 9,14}, 116: 10,15}, 116: 11,16}, 116: } 116: match = { 116: 0,0}, 116: 1,1}, 116: 2,2}, 116: 3,4}, 116: 4,5}, 116: 5,6}, 116: 6,7}, 116: 7,8}, 116: 8,9}, 116: 9,14}, 116: 10,15}, 116: 11,16}, 116: } 81: [14:25:59] Finished: testSDCorrectness() 81: [14:25:59] ----------------------------------------- 81: 81: [14:25:59] 81: ----------------------------------------- 81: [14:25:59] Finished: testThrowSDF() 81: [14:25:59] ----------------------------------------- 81: 81: [14:25:59] 81: ----------------------------------------- 81: [14:25:59] Finished: testThrowSmiles() 81: [14:25:59] ----------------------------------------- 81: 109/272 Test #81: testMultithreadedMolSupplier ........... Passed 10.14 sec test 117 Start 117: pyFilterCatalog 117: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FilterCatalog/Wrap/rough_test.py" 117: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FilterCatalog/Wrap 117: Test timeout computed to be: 7200 110/272 Test #116: filterCatalogTest ...................... Passed 0.19 sec test 118 Start 118: testFragCatalog 118: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog 118: Test timeout computed to be: 7200 118: 21 97: Read of 500x20 molecules took 4135 ms 118: [14:25:59] 118: 118: **** 118: Invariant Violation 118: nonsense 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 118: [14:25:59] 118: 118: **** 118: Invariant Violation 118: nonsense no new line 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 118: [14:25:59] 118: 118: **** 118: Invariant Violation 118: nonsense with tab 118: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 118: Failed Expression: token != tokens.end() 118: ---------- 118: Stacktrace: 118: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 118: 2# 0x0000000000012E60 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitFragCatalog.so.1 118: 4# 0x0000000000008A54 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 5# 0x0000000000004E1C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 118: 8# 0x0000000000005750 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/testFragCatalog 118: ---------- 118: **** 118: 111/272 Test #118: testFragCatalog ........................ Passed 0.73 sec test 119 Start 119: pyFragCatalog 119: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 119: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FragCatalog/Wrap 119: Test timeout computed to be: 7200 117: .............[14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: [14:25:59] SMILES Parse Error: syntax error while parsing: --- 117: [14:25:59] SMILES Parse Error: check for mistakes around position 1: 117: [14:25:59] --- 117: [14:25:59] ^ 117: [14:25:59] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 117: [14:25:59] dasfsadf 117: .[14:26:00] SMILES Parse Error: syntax error while parsing: mydoghasfleas 117: [14:26:00] SMILES Parse Error: check for mistakes around position 1: 117: [14:26:00] mydoghasfleas 117: [14:26:00] ^ 117: [14:26:00] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas' 117: ....... 117: ---------------------------------------------------------------------- 117: Ran 21 tests in 0.715s 117: 117: OK 117: (Five aromatic carbons And (Not any of Five aromatic carbons)) 117: (Five aromatic carbons Or (Not any of Five aromatic carbons)) 117: (Not (Five aromatic carbons And (Not any of Five aromatic carbons))) 117: ******************************************** 117: Testing: PAINS_A 2 117: ******************************************** 117: Testing: PAINS_B 4 117: ******************************************** 117: Testing: PAINS_C 8 117: ******************************************** 117: Testing: PAINS 14 117: (Not FilterMatcher) 117: Bar 117: Count 1 117: ******************************************** 117: {'Cl,Br,I'} 117: 1 117: 2 117: running 119: ......... 119: ---------------------------------------------------------------------- 119: Ran 9 tests in 0.050s 119: 119: OK 112/272 Test #119: pyFragCatalog .......................... Passed 0.27 sec test 120 Start 120: testDescriptors 120: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testDescriptors 120: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 120: Test timeout computed to be: 7200 113/272 Test #117: pyFilterCatalog ........................ Passed 1.04 sec test 121 Start 121: testAUTOCORR2D 121: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testAUTOCORR2D 121: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 121: Test timeout computed to be: 7200 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Crippen parameter acquisition. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Crippen calculation. 121: [14:26:00] ---------------------------- 121: start test autocorr2D 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Issue262: problems with Crippen calculation from pickles. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test AMW calculation. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Exact MW calculation. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Labute ASA descriptors. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test TPSA descriptors. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Lipinski parameters. 29: Checking against /build/reproducible-path/rdkit-202609.1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test VSA descriptors. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test molecular formula calculation. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Issue 3415534. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test Issue3433771: Bad definition for Crippen atom type O11. 120: [14:26:00] done 120: [14:26:00] ------------------------------------- 120: [14:26:00] Test multithreading 120: reading molecules 120: processing 120: launch :0 120: launch :1 120: launch :2 120: launch :3 29: All 191 tests passed 29: done 29: ------------------------------------- 29: Unit tests for all MMFF constraint terms. 29: 10.0003 121: [14:26:00] done 121: [14:26:00] ------------------------------------- 121: [14:26:00] Test Github #3806: NaNs from AUTOCORR2D descriptor 121: [14:26:00] done 114/272 Test #121: testAUTOCORR2D ......................... Passed 0.29 sec test 122 Start 122: testATF 122: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testATF 122: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 122: Test timeout computed to be: 7200 29: done 29: ------------------------------------- 29: Unit test for MMFF TorsionConstraint close to 0 degrees. 29: done 29: ------------------------------------- 29: Unit tests for copying MMFF ForceFields. 115/272 Test #122: testATF ................................ Passed 0.02 sec test 123 Start 123: testBCUT 123: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testBCUT 123: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 123: Test timeout computed to be: 7200 29: done 29: ------------------------------------- 29: Unit test for MMFF butane scan. 123: [14:26:00] ------------------------------------- 123: [14:26:00] Basic BCUT tests. 123: [14:26:00] done 123: [14:26:00] ------------------------------------- 123: [14:26:00] Larger BCUT tests. 29: done 116/272 Test #29: testMMFFForceField ..................... Passed 19.43 sec test 124 Start 124: testEEM 124: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testEEM 124: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 124: Test timeout computed to be: 7200 124: =>start test EEM 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 0 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 123: [14:26:00] ------------------------------------- 123: [14:26:00] Test empty molecule BCUT. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 117/272 Test #123: testBCUT ............................... Passed 0.43 sec 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. test 125 Start 125: testPBF 125: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testPBF 125: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 125: Test timeout computed to be: 7200 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 100 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 125: [14:26:00] ------------------------------------- 125: [14:26:00] Basic PBF tests. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 200 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 125: [14:26:01] done 125: [14:26:01] ------------------------------------- 125: [14:26:01] PBF edge cases. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 125: [14:26:01] done 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 118/272 Test #125: testPBF ................................ Passed 0.18 sec 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. test 126 Start 126: testRDFcustom 126: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testRDFcustom 126: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 126: Test timeout computed to be: 7200 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 300 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: 400 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: [14:26:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 124: Elapsed time: 0.524394 s 124: Errors:0 124: [14:26:01] test on : 500 molecules done 119/272 Test #124: testEEM ................................ Passed 0.55 sec test 127 Start 127: testRDF 127: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testRDF 127: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 127: Test timeout computed to be: 7200 126: =>start test rdf custom 126: [14:26:01] test on : 365 molecules done 97: Read of 500x20 molecules took 2715 ms 127: =>start test rdf 127: [14:26:02] test on : 365 molecules done 120/272 Test #127: testRDF ................................ Passed 0.83 sec test 128 Start 128: testMORSE 128: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testMORSE 128: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 128: Test timeout computed to be: 7200 126: =>start test morse custom 126: [14:26:02] test on : 365 molecules done 126: =>start test AUTOCORR3D custom 126: [14:26:02] test on : 365 molecules done 128: =>start test MORSE 128: =>read file 128: [14:26:02] test on : 365 molecules done 121/272 Test #128: testMORSE .............................. Passed 0.68 sec test 129 Start 129: test3D 129: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/test3D 129: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 129: Test timeout computed to be: 7200 129: [14:26:02] ------------------------------------- 129: [14:26:02] Basic PMI tests. 126: =>start test 2 WHIM custom 126: [14:26:02] test on : 365 molecules done 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] More PMI/NPR tests. 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] Basic NPR tests. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Issue252: Bad definitions for Crippen atom types. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of ChiVs. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of ChiNs. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of HallKierAlpha. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of Kappa1. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of Kappa2. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of Kappa3. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Crippen atom type calculations. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test ring descriptors 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test other count descriptors. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test MQN 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test GitHub Issue 56. 120: [14:26:03] WARNING: not removing hydrogen atom without neighbors 120: [14:26:03] WARNING: not removing hydrogen atom without neighbors 120: [14:26:03] WARNING: not removing hydrogen atom without neighbors 120: [14:26:03] WARNING: not removing hydrogen atom without neighbors 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github92: Bad Crippen atom type for pyrrole H. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github362: order dependence in Kier-Hall descriptors. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test calculation of spiro and bridgehead counts. 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github694: ExactMolWt ignoring the mass of the electron 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Testing Properties and KitchenSink 120: [14:26:03] ---Caught keyerror (bad property name)--- 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test USR Descriptor 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github #1973: support P and S terms for TPSA calculation 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github #2948: Empty molecule has non-zero LabuteASA 120: [14:26:03] done 120: [14:26:03] ------------------------------------- 120: [14:26:03] Test Github #8997: incorrect numHBA in N-heterocycles 120: [14:26:03] done 122/272 Test #120: testDescriptors ........................ Passed 2.96 sec test 130 Start 130: testWHIM 130: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testWHIM 130: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 130: Test timeout computed to be: 7200 126: =>start test 1 WHIM custom 126: [14:26:03] test on : 365 molecules done 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] PMI edge cases. 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] NPR edge cases. 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] 3D descriptors. 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] 3D descriptor edge cases. 129: [14:26:03] done 129: [14:26:03] ------------------------------------- 129: [14:26:03] Inertial shape factor. 129: [14:26:03] done 123/272 Test #129: test3D ................................. Passed 0.39 sec test 131 Start 131: testGETAWAY 131: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testGETAWAY 131: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 131: Test timeout computed to be: 7200 130: =>start test WHIM 130: [14:26:03] test on : 365 molecules done 124/272 Test #130: testWHIM ............................... Passed 0.26 sec test 132 Start 132: testAUTOCORR3D 132: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testAUTOCORR3D 132: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 132: Test timeout computed to be: 7200 132: =>start test autocorr3D 132: [14:26:03] test on : 365 molecules done 125/272 Test #132: testAUTOCORR3D ......................... Passed 0.31 sec test 133 Start 133: testCoulombMat 133: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/testCoulombMat 133: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 133: Test timeout computed to be: 7200 133: ===================== Testing CoulombMat ======================= 133: CM test 1 mat Done 126/272 Test #133: testCoulombMat ......................... Passed 0.03 sec test 134 Start 134: descriptorsTestCatch 134: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/descriptorsTestCatch 134: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors 134: Test timeout computed to be: 7200 126: =>start test GETAWAY custom 126: [14:26:04] test on : 365 molecules done 127/272 Test #126: testRDFcustom .......................... Passed 3.27 sec test 135 Start 135: pyMolDescriptors 135: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 135: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/Wrap 135: Test timeout computed to be: 7200 134: Randomness seeded to: 1249023794 134: =============================================================================== 134: All tests passed (826 assertions in 11 test cases) 134: 128/272 Test #134: descriptorsTestCatch ................... Passed 0.72 sec test 136 Start 136: pyMolDescriptors3D 136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Descriptors/Wrap/test3D.py" 136: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Descriptors/Wrap 136: Test timeout computed to be: 7200 131: =>start test GETAWAY 131: [14:26:04] test on : 365 molecules done 129/272 Test #131: testGETAWAY ............................ Passed 1.23 sec test 137 Start 137: testFingerprints 137: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/testFingerprints 137: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints 137: Test timeout computed to be: 7200 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->1 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: SMI: Oc1cc2[nH]cnc2c(O)n1 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->1 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1(O)cc2[nH]cnc2c(O)n1 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 0->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 7->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1c(O)nc(O)c2c1[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: 1 conj?: 1 137: 2 1->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: 1 conj?: 1 137: 5 4->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->6 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c12cc(O)nc(O)c1nc[nH]2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: 1 conj?: 1 137: 3 2->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->0 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: [nH]1c2cc(O)nc(O)c2nc1 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: 1 conj?: 1 137: 4 3->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: 1 conj?: 1 137: 7 6->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 8->1 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1[nH]c2cc(O)nc(O)c2n1 137: Atoms: 137: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: 1 conj?: 1 137: 5 4->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: 1 conj?: 1 137: 8 7->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 9->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: n1c[nH]c2cc(O)nc(O)c21 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: 1 conj?: 1 137: 9 8->10 order: a conj?: 1 aromatic?: 1 137: 10 10->0 order: a conj?: 1 aromatic?: 1 137: 11 10->3 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c12c(cc(O)nc1O)[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: 1 conj?: 1 137: 4 3->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: 1 conj?: 1 137: 7 1->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 6->0 order: a conj?: 1 aromatic?: 1 137: 11 10->0 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 137: Atoms: 137: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 0->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 3->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->0 order: a conj?: 1 aromatic?: 1 137: 11 10->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: Oc1c2c(cc(O)n1)[nH]cn2 137: Atoms: 137: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: Bonds: 137: 0 0->1 order: 1 conj?: 1 137: 1 1->2 order: a conj?: 1 aromatic?: 1 137: 2 2->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: 1 conj?: 1 137: 6 5->7 order: a conj?: 1 aromatic?: 1 137: 7 3->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: a conj?: 1 aromatic?: 1 137: 10 7->1 order: a conj?: 1 aromatic?: 1 137: 11 10->2 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: SMI: n1c(O)cc2[nH]cnc2c1O 137: Atoms: 137: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 137: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 137: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 137: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 137: Bonds: 137: 0 0->1 order: a conj?: 1 aromatic?: 1 137: 1 1->2 order: 1 conj?: 1 137: 2 1->3 order: a conj?: 1 aromatic?: 1 137: 3 3->4 order: a conj?: 1 aromatic?: 1 137: 4 4->5 order: a conj?: 1 aromatic?: 1 137: 5 5->6 order: a conj?: 1 aromatic?: 1 137: 6 6->7 order: a conj?: 1 aromatic?: 1 137: 7 7->8 order: a conj?: 1 aromatic?: 1 137: 8 8->9 order: a conj?: 1 aromatic?: 1 137: 9 9->10 order: 1 conj?: 1 137: 10 9->0 order: a conj?: 1 aromatic?: 1 137: 11 8->4 order: a conj?: 1 aromatic?: 1 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: 137: 137: 137: 137: 137: 137: 137: 137: ------------------- 137: 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Morgan Fingerprints. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Morgan Fingerprints using fromAtoms argument. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Morgan Fingerprints as bit vects. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Morgan Fingerprints with feature invariants. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test additional Morgan fingerprints options. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Atom Codes. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Atom Pairs. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Atom Pairs part 2. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Topological Torsions. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Bulk Topological Torsions. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Hashed Atom Pairs. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Hashed torsions. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Rooted Atom Pairs. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test ignoring atoms in Atom Pairs. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Rooted Topological Torsions. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test ignoring atoms in Topological Torsions. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test atom info from morgan fingerprints. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test atom info from morgan fingerprints including Info Redundant Environments. 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] ------------------------------------- 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] ------------------------------------- 137: [14:26:04] ------------------------------------- 137: [14:26:04] ------------------------------------- 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Atom Pairs including info about chirality. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test Topological Torsions including info about chirality. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test GitHub Issue 25: fingerprint backwards compatibility. 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test GitHub Issue 151: PatternFingerprint problems 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test 3D atom pairs. 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 137: [14:26:04] done 137: [14:26:04] ------------------------------------- 137: [14:26:04] Test multithreading with the pattern FP 137: reading molecules 137: pass 1 137: launch :0 137: launch :1 137: launch :2 137: launch :3 136: ........ 136: ---------------------------------------------------------------------- 136: Ran 8 tests in 0.085s 136: 136: OK 130/272 Test #136: pyMolDescriptors3D ..................... Passed 0.32 sec test 138 Start 138: testMHFPFingerprint 138: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/testMHFPFingerprint 138: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints 138: Test timeout computed to be: 7200 137: pass 2 137: launch :0 137: launch :1 137: launch :2 137: launch :3 138: [14:26:04] ------------------------------------- 138: [14:26:04] Test MHFP fingerprint encoder initialization 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ..[14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: .[14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 135: ..[14:26:04] 135: 135: **** 138: [14:26:04] done 138: [14:26:04] ------------------------------------- 138: [14:26:04] Test MHFP shingling creation 135: Pre-condition Violation 135: Number of atom props not equal to number of atoms 135: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp 135: Failed Expression: atom_props.size() == num_atoms 135: ---------- 135: Stacktrace: 135: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 135: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 135: 2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitDescriptors.so.1 135: 3# 0x000000000005D550 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so 135: 4# 0x000000000008A504 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so 135: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 135: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 135: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 135: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 135: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 135: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 135: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 135: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 135: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 135: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 135: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 135: 28# _PyObject_MakeTpCall in /usr/bin/python3 135: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 30# 0x00000000002AADF4 in /usr/bin/python3 135: 31# 0x00000000000AADF0 in /usr/bin/python3 135: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 33# 0x00000000002AADF4 in /usr/bin/python3 135: 34# 0x00000000000AC98C in /usr/bin/python3 135: 35# 0x000000000019A2B8 in /usr/bin/python3 135: 36# _PyObject_MakeTpCall in /usr/bin/python3 135: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 38# 0x00000000002AADF4 in /usr/bin/python3 135: 39# 0x00000000000AADF0 in /usr/bin/python3 135: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 41# 0x00000000002AADF4 in /usr/bin/python3 135: 42# 0x00000000000AC98C in /usr/bin/python3 135: 43# 0x000000000019A2B8 in /usr/bin/python3 135: 44# _PyObject_MakeTpCall in /usr/bin/python3 135: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 46# 0x00000000002AADF4 in /usr/bin/python3 135: 47# 0x00000000000AADF0 in /usr/bin/python3 135: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 49# 0x00000000002AADF4 in /usr/bin/python3 135: 50# 0x00000000000AC98C in /usr/bin/python3 135: 51# 0x000000000019A2B8 in /usr/bin/python3 135: 52# _PyObject_MakeTpCall in /usr/bin/python3 135: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 54# 0x00000000002AADF4 in /usr/bin/python3 135: 55# 0x00000000000AC98C in /usr/bin/python3 135: 56# 0x0000000000193854 in /usr/bin/python3 135: 57# 0x0000000000189714 in /usr/bin/python3 135: 58# _PyObject_MakeTpCall in /usr/bin/python3 135: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 135: 60# PyEval_EvalCode in /usr/bin/python3 135: 61# 0x000000000033C338 in /usr/bin/python3 135: 62# 0x000000000033ECB8 in /usr/bin/python3 135: 63# 0x000000000033F214 in /usr/bin/python3 135: 64# 0x000000000037E5E8 in /usr/bin/python3 135: 65# Py_BytesMain in /usr/bin/python3 135: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 135: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 135: 68# _start in /usr/bin/python3 135: ---------- 135: **** 135: 135: .[14:26:04] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:04] DEPRECATION WARNING: please use MorganGenerator 138: [14:26:04] done 138: [14:26:04] ------------------------------------- 138: [14:26:04] Test MHFP hashing of string and uint arrays 138: [14:26:04] done 138: [14:26:04] ------------------------------------- 138: [14:26:04] Test SECFP fingerprint functionality 138: [14:26:04] done 131/272 Test #138: testMHFPFingerprint .................... Passed 0.07 sec test 139 Start 139: testFingerprintGenerators 139: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/testFingerprintGenerators 139: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints 139: Test timeout computed to be: 7200 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test atom-pair fp generator 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test atom-pair fp generator with different arguments 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] DEPRECATION WARNING: please use AtomPairGenerator 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test atom-pair additional output 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Folded Atom Pairs. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Rooted Atom Pairs. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test ignoring atoms in Atom Pairs. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Atom Pairs including info about chirality. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Morgan Fingerprints. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test morgan fp generator 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Morgan Fingerprints using fromAtoms argument. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Morgan Fingerprints as bit vects. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test Morgan Fingerprints with feature invariants. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test additional Morgan fingerprints options. 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Single atoms setting radius 1 bits in Morgan fingerprints 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test different invariant generator combinations 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test invariant overriding 139: [14:26:04] done 139: [14:26:04] ------------------------------------- 139: [14:26:04] Test RDKit fp generator 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test unfolded version of RDKFP 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test topological torsion fp generator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test Topological Torsions. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test Folded torsions. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test Bulk Topological Torsions. 104: 0,0 0 104: 0,1 0 104: 1,0 0 104: 1,1 0 104: 2,0 0 104: 2,1 0 132/272 Test #104: testEnumeration ........................ Passed 8.21 sec test 140 Start 140: fpTestCatch 140: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/fpTestCatch 140: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints 140: Test timeout computed to be: 7200 140: Randomness seeded to: 3526015959 140: =============================================================================== 140: All tests passed (245 assertions in 17 test cases) 140: 133/272 Test #140: fpTestCatch ............................ Passed 0.04 sec test 141 Start 141: fpGenTestCatch 141: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/fpGenTestCatch 141: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints 141: Test timeout computed to be: 7200 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test Rooted Topological Torsions. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test ignoring atoms in Topological Torsions. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test Topological Torsions including info about chirality. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test GitHub Issue 25: fingerprint backwards compatibility. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test convenience and bulk fp calculation functions 141: Randomness seeded to: 3225616843 141: =============================================================================== 141: All tests passed (2770 assertions in 9 test cases) 141: 134/272 Test #141: fpGenTestCatch ......................... Passed 0.07 sec test 142 Start 142: pyTestGenerator 142: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Wrap/testGenerators.py" 142: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/Wrap 142: Test timeout computed to be: 7200 97: Read of 500x20 molecules took 3031 ms 135: ....[14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: .[14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: ..[14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: .[14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ...[14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: [14:26:05] DEPRECATION WARNING: please use MorganGenerator 135: ....[14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: .....[14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 135: .[14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ..[14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: .[14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [14:26:05] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: ... 135: ---------------------------------------------------------------------- 135: Ran 33 tests in 0.529s 135: 135: OK 135: exactmw 78.046950192 135: amw 78.11399999999999 135: lipinskiHBA 0.0 135: lipinskiHBD 0.0 135: NumRotatableBonds 0.0 135: NumHBD 0.0 135: NumHBA 0.0 135: NumHeavyAtoms 6.0 135: NumAtoms 12.0 135: NumHeteroatoms 0.0 135: NumAmideBonds 0.0 135: FractionCSP3 0.0 135: NumRings 1.0 135: NumAromaticRings 1.0 135: NumAliphaticRings 0.0 135: NumSaturatedRings 0.0 135: NumHeterocycles 0.0 135: NumAromaticHeterocycles 0.0 135: NumSaturatedHeterocycles 0.0 135: NumAliphaticHeterocycles 0.0 135: NumSpiroAtoms 0.0 135: NumBridgeheadAtoms 0.0 135: NumAtomStereoCenters 0.0 135: NumUnspecifiedAtomStereoCenters 0.0 135: labuteASA 37.43140311949697 135: tpsa 0.0 135: CrippenClogP 1.6866 135: CrippenMR 26.441999999999993 135: chi0v 3.464101615137755 135: chi1v 2.0000000000000004 135: chi2v 1.1547005383792521 135: chi3v 0.6666666666666671 135: chi4v 0.38490017945975075 135: chi0n 3.464101615137755 135: chi1n 2.0000000000000004 135: chi2n 1.1547005383792521 135: chi3n 0.6666666666666671 135: chi4n 0.38490017945975075 135: hallKierAlpha -0.78 135: kappa1 3.4115708812260532 135: kappa2 1.6057694396735218 135: kappa3 0.5823992601400448 135: Phi 0.9130327103921437 135: CustomNumAtoms 6.0 135: exactmw 78.046950192 135: lipinskiHBA 0.0 135/272 Test #135: pyMolDescriptors ....................... Passed 0.98 sec test 143 Start 143: pyTestMHFP 143: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Fingerprints/Wrap/testMHFP.py" 143: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Fingerprints/Wrap 143: Test timeout computed to be: 7200 139: [14:26:05] done 139: [14:26:05] ------------------------------------- 139: [14:26:05] Test GitHub Issue #6958 139: [14:26:05] DEPRECATION WARNING: please use AtomPairGenerator 136/272 Test #139: testFingerprintGenerators .............. Passed 0.59 sec test 144 Start 144: testPartialCharges 144: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges/testPartialCharges 144: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges 144: Test timeout computed to be: 7200 137/272 Test #144: testPartialCharges ..................... Passed 0.02 sec test 145 Start 145: pyPartialCharges 145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 145: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/PartialCharges/Wrap 145: Test timeout computed to be: 7200 142: ................. 142: ---------------------------------------------------------------------- 142: Ran 17 tests in 0.086s 142: 142: OK 138/272 Test #142: pyTestGenerator ........................ Passed 0.41 sec test 146 Start 146: testMolTransforms 146: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms/testMolTransforms 146: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms 146: Test timeout computed to be: 7200 143: ... 143: ---------------------------------------------------------------------- 143: Ran 3 tests in 0.135s 143: 143: OK 139/272 Test #143: pyTestMHFP ............................. Passed 0.33 sec test 147 Start 147: molTransformsTestCatch 147: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms/molTransformsTestCatch 147: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms 147: Test timeout computed to be: 7200 146: *********************************************************** 146: Testing MolTransforms 146: --------------------------------- 146: test1Canonicalization 146: 146: --------------------------------- 146: testGetSetBondLength 146: 146: --------------------------------- 146: testGetSetAngle 146: 146: --------------------------------- 146: testGetSetDihedral 146: 146: --------------------------------- 146: testGetSetDihedralThroughTripleBond 146: 146: --------------------------------- 146: testGithub1262: PMI descriptors incorrect 146: 146: --------------------------------- 146: testGithub1908: CanonicalizeMol() distorting bond lengths 146: 146: --------------------------------- 146: testGithub4302: native computeCanonicalTransform() generates non-canonical coords 146: 146: --------------------------------- 146: testWeightedCentroid 146: 146: *********************************************************** 140/272 Test #146: testMolTransforms ...................... Passed 0.04 sec test 148 Start 148: pyMolTransforms 148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 148: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolTransforms/Wrap 148: Test timeout computed to be: 7200 147: Randomness seeded to: 1067346848 147: =============================================================================== 147: All tests passed (8 assertions in 2 test cases) 147: 141/272 Test #147: molTransformsTestCatch ................. Passed 0.02 sec test 149 Start 149: forceFieldHelpersCatch 149: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch 149: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers 149: Test timeout computed to be: 7200 145: ....... 145: ---------------------------------------------------------------------- 145: Ran 7 tests in 0.096s 145: 145: OK 149: Randomness seeded to: 2318248087 149: =============================================================================== 149: All tests passed (17 assertions in 2 test cases) 149: 142/272 Test #149: forceFieldHelpersCatch ................. Passed 0.03 sec test 150 Start 150: testMMFFForceFieldHelpers 150: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 150: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF 150: Test timeout computed to be: 7200 143/272 Test #145: pyPartialCharges ....................... Passed 0.29 sec test 151 Start 151: testMMFFForceFieldHelpersMultiThread 151: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread 151: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/MMFF 151: Test timeout computed to be: 7200 150: [14:26:05] ------------------------------------- 150: [14:26:05] Test MMFF atom types. 151: [14:26:05] ------------------------------------- 151: [14:26:05] Test MMFF multithreading 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing MMFF builder tools. 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing MMFF builder+minimization. 151: processing 151: launch :0 151: launch :1 151: launch :2 151: launch :3 151: launch :4 151: launch :5 151: launch :6 151: launch :7 151: launch :8 151: launch :9 151: launch :10 151: launch :11 151: launch :12 151: launch :13 151: launch :14 151: launch :15 151: launch :16 151: launch :17 151: launch :18 151: launch :19 151: launch :20 151: launch :21 151: launch :22 151: launch :23 151: done 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing Issue239. 151: [14:26:05] done 144/272 Test #151: testMMFFForceFieldHelpersMultiThread ... Passed 0.16 sec test 152 Start 152: testUFFForceFieldHelpers 152: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 152: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/UFF 152: Test timeout computed to be: 7200 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing calcEnergy with passed coords. 152: [14:26:05] ------------------------------------- 152: [14:26:05] Test UFF atom labels. 152: [14:26:05] done 152: [14:26:05] ------------------------------------- 152: [14:26:05] Test UFF atom typer. 152: [14:26:05] done 152: [14:26:05] ------------------------------------- 152: [14:26:05] Testing UFF builder tools. 152: [14:26:05] done 152: [14:26:05] ------------------------------------- 152: [14:26:05] Testing UFF builder+minimization. 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing calcGrad. 150: [14:26:05] done 150: [14:26:05] ------------------------------------- 150: [14:26:05] Testing Issue242. 148: ........ 148: ---------------------------------------------------------------------- 148: Ran 8 tests in 0.030s 148: 148: OK 150: [14:26:06] done 150: [14:26:06] ------------------------------------- 150: [14:26:06] Testing github 308: crash during MMFF parameterization . 150: [14:26:06] ------------------------------------- 150: [14:26:06] Testing SFIssue1653802. 145/272 Test #148: pyMolTransforms ........................ Passed 0.34 sec test 153 Start 153: testCrystalForceField 153: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField 153: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF 153: Test timeout computed to be: 7200 150: [14:26:06] done 150: [14:26:06] ------------------------------------- 150: [14:26:06] Testing SFIssue2378119. 150: [14:26:06] done 150: [14:26:06] ------------------------------------- 150: [14:26:06] Test MMFF force-field parameter getters. 150: [14:26:06] ------------------------------------- 150: [14:26:06] Test MMFF multithreading 150: generating reference data 153: ------------------------------------- 153: Test CrystalFF torsional term. 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing UFF special cases. 152: [14:26:06] UFFTYPER: Unrecognized charge state for atom: 0 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing Issue239. 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing calcEnergy with passed coords. 153: -------------------------------------------- 153: Finite difference Test of Planarity Contribs 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing calcGrad. 146/272 Test #153: testCrystalForceField .................. Passed 0.10 sec test 154 Start 154: crystalForceFieldCatch 154: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF/crystalForceFieldCatch 154: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/CrystalFF 154: Test timeout computed to be: 7200 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing SFIssue1653802. 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing SFIssue2378119. 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Test UFF force-field parameter getters. 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing handling missing parameters. 152: [14:26:06] UFFTYPER: Unrecognized hybridization for atom: 0 152: [14:26:06] UFFTYPER: Unrecognized atom type: Cu+1 (0) 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Testing SFIssue3009337. 152: [14:26:06] done 152: [14:26:06] ------------------------------------- 152: [14:26:06] Test UFF multithreading 152: generating reference data 154: Randomness seeded to: 2063755756 154: =============================================================================== 154: All tests passed (1859 assertions in 2 test cases) 154: 147/272 Test #154: crystalForceFieldCatch ................. Passed 0.04 sec test 155 Start 155: pyForceFieldHelpers 155: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 155: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ForceFieldHelpers/Wrap 155: Test timeout computed to be: 7200 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: ..[14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: processing 150: launch :0 150: launch :[14:26:06] Rep: 0 Mol:01 150: 150: launch :2 150: launch :3 150: [14:26:06] [14:26:06] Rep: Rep: 0[14:26:06] Rep: 0 Mol:20 Mol: 150: 1 Mol:3 150: 152: processing 152: launch :0 152: launch :1 152: launch :2 152: [14:26:06] Rep: 0 Mol:0 152: launch :3 152: [14:26:06] Rep: [14:26:06] Rep: 0 Mol:1 152: 0 Mol:2 152: [14:26:06] Rep: 0 Mol:3 150: [14:26:06] Rep: 0 Mol:5 152: [14:26:06] Rep: 0 Mol:5 152: [14:26:06] Rep: 0 Mol:9 152: [14:26:06] Rep: 0 Mol:4 150: [14:26:06] Rep: 0 Mol:9 150: [14:26:06] Rep: 0 Mol:4 152: [14:26:06] Rep: 0 Mol:13 150: [14:26:06] Rep: 0 Mol:13 152: [14:26:06] Rep: 0 Mol:6 152: [14:26:06] Rep: 0 Mol:7 152: [14:26:06] Rep: 0 Mol:11 152: [14:26:06] Rep: 0 Mol:17 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:26:06] Rep: 0 Mol:10 152: [14:26:06] Rep: 0 Mol:15 152: [14:26:06] Rep: 0 Mol:19 150: [14:26:06] Rep: 0 Mol:17 152: [14:26:06] Rep: 0 Mol:8 152: [14:26:06] Rep: 0 Mol:23 152: [14:26:06] Rep: 0 Mol:27 150: [14:26:06] Rep: 0 Mol:6 150: [14:26:06] Rep: 0 Mol:8 152: [14:26:06] Rep: 0 Mol:12 152: [14:26:06] Rep: 0 Mol:31 150: [14:26:06] Rep: 0 Mol:10 152: [14:26:06] Rep: 0 Mol:16 152: [14:26:06] Rep: 0 Mol:21 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:26:06] Rep: 0 Mol:20 150: [14:26:06] Rep: 0 Mol:12 152: [14:26:06] Rep: 0 Mol:25 152: [14:26:06] Rep: 0 Mol:14 152: [14:26:06] Rep: 0 Mol:24 150: [14:26:06] Rep: 0 Mol:16 150: [14:26:06] Rep: 0 Mol:7 152: [14:26:06] Rep: 0 Mol:18 152: [14:26:06] Rep: 0 Mol:29 152: [14:26:06] Rep: 0 Mol:28 150: [14:26:06] Rep: 0 Mol:11 152: [14:26:06] Rep: 0 Mol:22 150: [14:26:06] Rep: 0 Mol:21 150: [14:26:06] Rep: 0 Mol:15 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] UFFTYPER: Unrecognized hybridization for atom: 0 155: [14:26:06] UFFTYPER: Unrecognized atom type: Cu+1 (0) 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 152: [14:26:06] Rep: 0 Mol:26 155: [14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 0 Mol:19 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: .[14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 155: ...[14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 0 Mol:20 150: [14:26:06] Rep: 0 Mol:23 150: [14:26:06] Rep: 0 Mol:27 150: [14:26:06] Rep: 0 Mol:25 152: [14:26:06] Rep: 0 Mol:30 150: [14:26:06] Rep: 0 Mol:31 150: [14:26:06] Rep: 0 Mol:24 150: [14:26:06] Rep: 0 Mol:29 150: [14:26:06] Rep: 0 Mol:28 155: ..... 155: ---------------------------------------------------------------------- 155: Ran 21 tests in 0.173s 155: 155: OK 150: [14:26:06] Rep: 0 Mol:14 150: [14:26:06] Rep: 0 Mol:18 148/272 Test #155: pyForceFieldHelpers .................... Passed 0.49 sec test 156 Start 156: testDistGeomHelpers-shard-0/3 156: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "0" "--shard-count" "4" "--rng-seed" "0xef6b93de" "--order" "rand" 156: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 156: Test timeout computed to be: 7200 150: [14:26:06] Rep: 20 Mol:3 150: [14:26:06] Rep: 20 Mol:7 150: [14:26:06] Rep: 20 Mol:11 150: [14:26:06] Rep: 20 Mol:15 150: [14:26:06] Rep: 0 Mol:22 150: [14:26:06] Rep: 20 Mol:19 150: [14:26:06] Rep: 20 Mol:23 150: [14:26:06] Rep: 20 Mol:27 150: [14:26:06] Rep: 20 Mol:31 150: [14:26:06] Rep: 20 Mol:0 150: [14:26:06] Rep: 20 Mol:4 150: [14:26:06] Rep: 20 Mol:8 150: [14:26:06] Rep: 20 Mol:12 150: [14:26:06] Rep: 20 Mol:16 150: [14:26:06] Rep: 20 Mol:20 150: [14:26:06] Rep: 20 Mol:24 150: [14:26:06] Rep: 20 Mol:28 150: [14:26:06] Rep: 0 Mol:26 150: [14:26:06] Rep: 20 Mol:1 150: [14:26:06] Rep: 20 Mol:5 150: [14:26:06] Rep: 20 Mol:9 150: [14:26:06] Rep: 20 Mol:13 150: [14:26:06] Rep: 20 Mol:17 156: Randomness seeded to: 4016804830 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 20 Mol:21 150: [14:26:06] Rep: 20 Mol:25 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 20 Mol:29 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 0 Mol:30 150: [14:26:06] Rep: 40 Mol:3 150: [14:26:06] Rep: 40 Mol:7 150: [14:26:06] Rep: 40 Mol:11 150: [14:26:06] Rep: 40 Mol:15 150: [14:26:06] Rep: 40 Mol:19 150: [14:26:06] Rep: 40 Mol:23 150: [14:26:06] Rep: 40 Mol:27 150: [14:26:06] Rep: 40 Mol:31 150: [14:26:06] Rep: 40 Mol:0 150: [14:26:06] Rep: 40 Mol:4 150: [14:26:06] Rep: 40 Mol:8 150: [14:26:06] Rep: 40 Mol:12 150: [14:26:06] Rep: 40 Mol:16 150: [14:26:06] Rep: 40 Mol:20 150: [14:26:06] Rep: 40 Mol:24 150: [14:26:06] Rep: 40 Mol:28 150: [14:26:06] Rep: 40 Mol:1 150: [14:26:06] Rep: 40 Mol:5 150: [14:26:06] Rep: 40 Mol:9 150: [14:26:06] Rep: 40 Mol:13 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 40 Mol:17 156: [14:26:06] Molecule does not have explicit Hs. Consider calling AddHs() 150: [14:26:06] Rep: 40 Mol:21 150: [14:26:06] Rep: 40 Mol:25 150: [14:26:06] Rep: 40 Mol:29 150: [14:26:06] Rep: 60 Mol:3 150: [14:26:06] Rep: 60 Mol:7 150: [14:26:06] Rep: 60 Mol:11 150: [14:26:06] Rep: 60 Mol:15 150: [14:26:06] Rep: 60 Mol:19 150: [14:26:06] Rep: 60 Mol:23 150: [14:26:06] Rep: 60 Mol:27 150: [14:26:06] Rep: 60 Mol:31 150: [14:26:06] Rep: 60 Mol:0 150: [14:26:06] Rep: 60 Mol:4 150: [14:26:06] Rep: 60 Mol:8 150: [14:26:06] Rep: 60 Mol:12 150: [14:26:06] Rep: 60 Mol:16 150: [14:26:06] Rep: 60 Mol:20 152: [14:26:06] Rep: 100 Mol:3 150: [14:26:06] Rep: 60 Mol:24 150: [14:26:06] Rep: 60 Mol:28 152: [14:26:06] Rep: 100 Mol:7 152: [14:26:06] Rep: 100 Mol:11 152: [14:26:06] Rep: 100 Mol:15 152: [14:26:06] Rep: 100 Mol:19 152: [14:26:06] Rep: 100 Mol:23 152: [14:26:06] Rep: 100 Mol:27 152: [14:26:06] Rep: 100 Mol:31 150: [14:26:06] Rep: 60 Mol:1 150: [14:26:06] Rep: 60 Mol:5 150: [14:26:06] Rep: 60 Mol:9 150: [14:26:06] Rep: 60 Mol:13 150: [14:26:06] Rep: 60 Mol:17 150: [14:26:06] Rep: 60 Mol:21 150: [14:26:06] Rep: 60 Mol:25 150: [14:26:06] Rep: 60 Mol:29 150: [14:26:06] Rep: 80 Mol:3 150: [14:26:06] Rep: 80 Mol:7 150: [14:26:06] Rep: 80 Mol:11 150: [14:26:06] Rep: 80 Mol:15 150: [14:26:06] Rep: 80 Mol:19 150: [14:26:06] Rep: 80 Mol:23 150: [14:26:06] Rep: 80 Mol:27 150: [14:26:06] Rep: 80 Mol:31 150: [14:26:06] Rep: 20 Mol:2 150: [14:26:06] Rep: 20 Mol:6 150: [14:26:06] Rep: 20 Mol:10 150: [14:26:06] Rep: 20 Mol:14 150: [14:26:06] Rep: 20 Mol:18 150: [14:26:06] Rep: 20 Mol:22 150: [14:26:06] Rep: 20 Mol:26 150: [14:26:06] Rep: 20 Mol:30 150: [14:26:06] Rep: 80 Mol:0 150: [14:26:06] Rep: 80 Mol:4 150: [14:26:06] Rep: 80 Mol:8 150: [14:26:06] Rep: 80 Mol:12 150: [14:26:06] Rep: 80 Mol:16 150: [14:26:06] Rep: 80 Mol:20 150: [14:26:06] Rep: 80 Mol:24 150: [14:26:06] Rep: 80 Mol:28 150: [14:26:06] Rep: 80 Mol:1 150: [14:26:06] Rep: 80 Mol:5 150: [14:26:06] Rep: 80 Mol:9 150: [14:26:06] Rep: 80 Mol:13 150: [14:26:06] Rep: 80 Mol:17 150: [14:26:06] Rep: 80 Mol:21 150: [14:26:06] Rep: 80 Mol:25 150: [14:26:06] Rep: 80 Mol:29 152: [14:26:06] Rep: 100 Mol:0 152: [14:26:06] Rep: 100 Mol:4 152: [14:26:06] Rep: 100 Mol:8 152: [14:26:06] Rep: 100 Mol:12 152: [14:26:06] Rep: 100 Mol:16 152: [14:26:06] Rep: 100 Mol:20 152: [14:26:06] Rep: 100 Mol:24 152: [14:26:06] Rep: 100 Mol:28 152: [14:26:06] Rep: 100 Mol:1 152: [14:26:06] Rep: 100 Mol:5 152: [14:26:06] Rep: 100 Mol:9 152: [14:26:06] Rep: 100 Mol:13 152: [14:26:06] Rep: 100 Mol:17 152: [14:26:06] Rep: 100 Mol:21 152: [14:26:06] Rep: 100 Mol:25 152: [14:26:06] Rep: 100 Mol:29 150: [14:26:06] Rep: 40 Mol:2 150: [14:26:06] Rep: 40 Mol:6 150: [14:26:06] Rep: 40 Mol:10 150: [14:26:06] Rep: 40 Mol:14 150: [14:26:07] Rep: 40 Mol:18 150: [14:26:07] Rep: 40 Mol:22 150: [14:26:07] Rep: 40 Mol:26 150: [14:26:07] Rep: 40 Mol:30 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test unfolded version of RDKFP 137: [14:26:07] ------------------------------------- 137: [14:26:07] Test bitinfo of RDKFP 137: 562: [ 2 ], 137: 709: [ 0 1 ], 137: 1118: [ 0 1 2 ], 137: 1183: [ 1 2 ], 137: 1233: [ 0 1 2 ], 137: 1308: [ 0 ], [ 1 ], 137: 1339: [ 2 ], 137: 1728: [ 1 2 ], 137: 1772: [ 0 ], [ 1 ], 137: 1813: [ 0 1 ], 137: ------------ 137: [14:26:07] ------------------------------------- 137: [14:26:07] Single atoms setting radius 1 bits in Morgan fingerprints 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #879: Pattern fingerprint should set bits for single-atom fragments. 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use AtomPairGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] DEPRECATION WARNING: please use TopologicalTorsionGenerator 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #2115: BitInfo not complete for RDKFingerprint 137: [14:26:07] done 137: [14:26:07] ------------------------------------- 137: [14:26:07] Github #3723: Fingerprint crash for mols with Zero order bonds 137: [14:26:07] done 149/272 Test #137: testFingerprints ....................... Passed 2.57 sec test 157 Start 157: testDistGeomHelpers-shard-1/3 157: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "1" "--shard-count" "4" "--rng-seed" "0xef6b93de" "--order" "rand" 157: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 157: Test timeout computed to be: 7200 150: [14:26:07] Rep: 60 Mol:2 150: [14:26:07] Rep: 60 Mol:6 150: [14:26:07] Rep: 60 Mol:10 150: [14:26:07] Rep: 60 Mol:14 150: [14:26:07] Rep: 60 Mol:18 150: [14:26:07] Rep: 60 Mol:22 150: [14:26:07] Rep: 60 Mol:26 150: [14:26:07] Rep: 60 Mol:30 152: [14:26:07] Rep: 100 Mol:2 152: [14:26:07] Rep: 100 Mol:6 152: [14:26:07] Rep: 100 Mol:10 152: [14:26:07] Rep: 100 Mol:14 152: [14:26:07] Rep: 100 Mol:18 152: [14:26:07] Rep: 100 Mol:22 152: [14:26:07] Rep: 100 Mol:26 152: [14:26:07] Rep: 100 Mol:30 150: [14:26:07] Rep: 80 Mol:2 150: [14:26:07] Rep: 80 Mol:6 150: [14:26:07] Rep: 80 Mol:10 150: [14:26:07] Rep: 80 Mol:14 150: [14:26:07] Rep: 80 Mol:18 150: [14:26:07] Rep: 80 Mol:22 150: [14:26:07] Rep: 80 Mol:26 150: [14:26:07] Rep: 80 Mol:30 150: [14:26:07] done 150: [14:26:07] ------------------------------------- 150: [14:26:07] Test MMFF multithreading2 150: [14:26:07] done 150: [14:26:07] ------------------------------------- 150: [14:26:07] Test MMFF multithreading3 152: [14:26:07] done 152: [14:26:07] ------------------------------------- 152: [14:26:07] Test UFF multithreading2 152: [14:26:08] done 152: [14:26:08] ------------------------------------- 152: [14:26:08] Test UFF multithreading3 150: [14:26:08] done 150: [14:26:08] ------------------------------------- 150: [14:26:08] Testing github 162: Incorrect SMILES after MMFF parameterization . 150: [14:26:08] done 150: [14:26:08] ------------------------------------- 150: [14:26:08] Testing github 224: crash during MMFF parameterization . 150: [14:26:08] done 150: [14:26:08] ------------------------------------- 150: [14:26:08] Testing github6728: crash due to missing stretch-bend params. 150: [14:26:08] ------------------------------------- 150: [14:26:08] Testing MMFF nonbonded terms for cyclophosphazene. 150: [14:26:08] done 150/272 Test #150: testMMFFForceFieldHelpers .............. Passed 2.36 sec test 158 Start 158: testDistGeomHelpers-shard-2/3 158: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "2" "--shard-count" "4" "--rng-seed" "0xef6b93de" "--order" "rand" 158: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 158: Test timeout computed to be: 7200 152: [14:26:08] done 152: [14:26:08] ------------------------------------- 152: [14:26:08] Testing GitHubIssue62. 152: [14:26:08] beta-lactam 39.6387 152: [14:26:08] cyclopropanone 174.698 152: [14:26:08] aziridine 337.986 152: [14:26:08] aziridinone 115.248 152: [14:26:08] isobutene 2.48217 152: [14:26:08] acetone 1.32145 152: [14:26:08] cyclopentanone 10.1648 152: [14:26:08] cyclopropene 99.4921 152: [14:26:08] cyclobutene 41.0156 152: [14:26:08] cyclopropane 267.236 152: [14:26:08] gamma-lactam 15.7471 152: [14:26:08] trans-2,3-diphenylcyclopropan-1-one 203.398 152: [14:26:08] cis-2,3-diphenylcyclopropan-1-one 206.852 152: [14:26:08] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 152: [14:26:08] cyclopropylidencyclobutane 218.879 152: [14:26:08] diphenylmethylidencyclobutane 79.6139 152: [14:26:08] done 152: [14:26:08] ------------------------------------- 152: [14:26:08] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides. 152: [14:26:08] done 152: [14:26:08] ------------------------------------- 152: [14:26:08] Test square planar complexes 152: [14:26:08] done 152: [14:26:08] ------------------------------------- 152: [14:26:08] Test octahedral complexes 152: [14:26:08] done 151/272 Test #152: testUFFForceFieldHelpers ............... Passed 2.67 sec test 159 Start 159: testDistGeomHelpers-shard-3/3 159: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers "--shard-index" "3" "--shard-count" "4" "--rng-seed" "0xef6b93de" "--order" "rand" 159: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 159: Test timeout computed to be: 7200 157: Randomness seeded to: 4016804830 157: building molecules 157: generating reference data 159: Randomness seeded to: 4016804830 159: =============================================================================== 159: All tests passed (18459 assertions in 11 test cases) 159: 152/272 Test #159: testDistGeomHelpers-shard-3/3 .......... Passed 2.12 sec test 160 Start 160: distGeomHelpersCatch-shard-0/3 160: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "0" "--shard-count" "4" "--rng-seed" "0xeb1d4f87" "--order" "rand" 160: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 160: Test timeout computed to be: 7200 160: Randomness seeded to: 3944566663 160: [14:26:10] UFFTYPER: Unrecognized atom type: S_6+6 (0) 160: [14:26:10] UFFTYPER: Warning: hybridization set to SP3 for atom 0 160: [14:26:10] UFFTYPER: Unrecognized charge state for atom: 0 160: [14:26:10] UFFTYPER: Unrecognized atom type: S_6+6 (0) 160: [14:26:10] UFFTYPER: Warning: hybridization set to SP3 for atom 0 160: [14:26:10] UFFTYPER: Unrecognized charge state for atom: 0 156: =============================================================================== 156: All tests passed (4989 assertions in 12 test cases) 156: 153/272 Test #156: testDistGeomHelpers-shard-0/3 .......... Passed 4.22 sec test 161 Start 161: distGeomHelpersCatch-shard-1/3 161: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "1" "--shard-count" "4" "--rng-seed" "0xeb1d4f87" "--order" "rand" 161: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 161: Test timeout computed to be: 7200 161: Randomness seeded to: 3944566663 161: [14:26:11] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:26:11] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:26:11] UFFTYPER: Unrecognized atom type: S_5+4 (7) 161: [14:26:11] UFFTYPER: Unrecognized atom type: S_5+4 (7) 157: validating reference data 113: Randomness seeded to: 791032595 113: =============================================================================== 113: All tests passed (340 assertions in 10 test cases) 113: 154/272 Test #113: testSubgraphs1 ......................... Passed 13.96 sec test 162 Start 162: distGeomHelpersCatch-shard-2/3 162: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "2" "--shard-count" "4" "--rng-seed" "0xeb1d4f87" "--order" "rand" 162: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 162: Test timeout computed to be: 7200 162: Randomness seeded to: 3944566663 162: [14:26:12] Molecule does not have explicit Hs. Consider calling AddHs() 162: [14:26:12] Molecule does not have explicit Hs. Consider calling AddHs() 162: [14:26:12] Molecule does not have explicit Hs. Consider calling AddHs() 162: [14:26:12] UFFTYPER: Unrecognized atom type: Ge1 (1) 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:26:13] UFFTYPER: Unrecognized charge state for atom: 6 162: [14:26:13] UFFTYPER: Unrecognized atom type: Pt5+2 (1) 162: =============================================================================== 162: All tests passed (891 assertions in 11 test cases) 162: 155/272 Test #162: distGeomHelpersCatch-shard-2/3 ......... Passed 1.59 sec test 163 Start 163: distGeomHelpersCatch-shard-3/3 163: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch "--shard-index" "3" "--shard-count" "4" "--rng-seed" "0xeb1d4f87" "--order" "rand" 163: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 163: Test timeout computed to be: 7200 157: processing 157: launch :0 157: launch :1 157: launch :2 157: launch :3 97: Base transform of 500x200 molecules took 9162 ms 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 1 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 1 158: Randomness seeded to: 4016804830 158: CNC[C@H]1CC[C@H](C[NH3+])CC1 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 5 160: [14:26:14] UFFTYPER: Unrecognized charge state for atom: 5 97: Parallel transform of 500x200 molecules took 560 ms 160: [14:26:15] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:26:15] UFFTYPER: Unrecognized charge state for atom: 6 160: [14:26:15] UFFTYPER: Unrecognized charge state for atom: 6 163: Randomness seeded to: 3944566663 163: [14:26:15] Provided embedForceField FAULTYFF in JSON is not valid. Choose between UFF and MMFF. Falling back to UFF. 163: [14:26:15] Provided embedForceField FAULTYFF in JSON is not valid. Choose between UFF and MMFF. Falling back to UFF. 97: =============================================================================== 97: All tests passed (33358 assertions in 10 test cases) 97: 156/272 Test #97: fileParsersIteratorsTest ............... Passed 20.62 sec test 164 Start 164: testDgeomHelpersGH3019-shard-0/1 164: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 "--shard-index" "0" "--shard-count" "2" "--rng-seed" "0x24be6bdf" "--order" "rand" 164: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 164: Test timeout computed to be: 7200 164: Randomness seeded to: 616459231 164: [14:26:15] Molecule does not have explicit Hs. Consider calling AddHs() 163: [14:26:15] Interrupted, cancelling conformer generation 160: [14:26:15] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 6 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 6 163: [14:26:16] Interrupted, cancelling conformer generation 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 6 158: CNC[C@H]1CC[C@H](C[NH3+])CC1 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: [14:26:16] UFFTYPER: Warning: hybridization set to SP3 for atom 11 160: =============================================================================== 160: All tests passed (23812 assertions in 11 test cases) 160: 157/272 Test #160: distGeomHelpersCatch-shard-0/3 ......... Passed 5.91 sec test 165 Start 165: testDgeomHelpersGH3019-shard-1/1 165: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/testDgeomHelpersGH3019 "--shard-index" "1" "--shard-count" "2" "--rng-seed" "0x24be6bdf" "--order" "rand" 165: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers 165: Test timeout computed to be: 7200 165: Randomness seeded to: 616459231 165: [14:26:16] Molecule does not have explicit Hs. Consider calling AddHs() 158: =============================================================================== 158: All tests passed (3689 assertions in 11 test cases) 158: 158/272 Test #158: testDistGeomHelpers-shard-2/3 .......... Passed 9.73 sec test 166 Start 166: pyDistGeomHelpers 166: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 166: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DistGeomHelpers/Wrap 166: Test timeout computed to be: 7200 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: ..[14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: ..[14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:18] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:19] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:20] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:20] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:20] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:20] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:21] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:21] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:21] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:22] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:22] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:22] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:22] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:22] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:23] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:23] Molecule does not have explicit Hs. Consider calling AddHs() 42: [14:26:24] Finished in 39107 ms 42: [14:26:24] Finished 42: [14:26:24] testing smiles round-tripping. 42: [14:26:24] Finished 42: [14:26:24] testing github #1567: Non-canonical result from MolFragmentToSmiles() 42: [14:26:24] Finished 159/272 Test #42: hanoiTest .............................. Passed 43.10 sec test 167 Start 167: testMolAlign 167: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/testMolAlign 167: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign 167: Test timeout computed to be: 7200 167: *********************************************************** 167: Testing MolAlign 167: --------------------------------- 167: test1MolAlign 167: 167: --------------------------------- 167: test1GetBestRMS 167: 167: --------------------------------- 167: test1MolWithQueryAlign 167: 167: --------------------------------- 167: test2AtomMap 167: 167: --------------------------------- 167: test3Weights 167: 167: --------------------------------- 167: testIssue241 167: 167: *********************************************************** 160/272 Test #167: testMolAlign ........................... Passed 0.11 sec test 168 Start 168: testO3AAlign 168: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/testO3AAlign 168: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign 168: Test timeout computed to be: 7200 168: *********************************************************** 168: Testing O3AAlign 168: --------------------------------- 168: testMMFFO3A 168: 168: --------------------------------- 168: testMMFFO3A with pre-computed dmat and MolHistogram 168: 168: --------------------------------- 168: testMMFFO3A with constraints 168: 168: --------------------------------- 168: testMMFFO3A with variable weight constraints followed by local-only optimization 168: 168: --------------------------------- 168: testCrippenO3A 168: 168: --------------------------------- 168: testCrippenO3A with pre-computed dmat and MolHistogram 168: 168: --------------------------------- 168: testCrippenO3A with constraints 168: 168: --------------------------------- 168: testCrippenO3A with variable weight constraints followed by local-only optimization 168: 168: --------------------------------- 168: testMMFFO3A multithreading 168: 168: generating reference data 168: processing 168: launch :0 168: launch :1 168: launch :2 168: launch :3 168: --------------------------------- 168: test O3A multithreading bug 168: 168: --------------------------------- 168: testCrippenO3A multithreading 168: 168: generating reference data 168: processing 168: launch :0 168: launch :1 168: launch :2 168: launch :3 166: ............[14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: .[14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 166: [14:26:43] Molecule does not have explicit Hs. Consider calling AddHs() 34: [14:26:51] Finished 34: [14:26:51] ------------------------------------- 34: [14:26:51] Test github1843: RWMol.clear() should not destroy ring pointer. 34: [14:26:51] Finished 34: [14:26:51] ------------------------------------- 34: [14:26:51] Test Github 6370: non-physical radical counts being preserved 34: [14:26:51] Finished 161/272 Test #34: graphmolTest1 .......................... Passed 69.90 sec test 169 Start 169: molAlignCatchTest 169: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/molAlignCatchTest 169: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign 169: Test timeout computed to be: 7200 166: ...... 166: ---------------------------------------------------------------------- 166: Ran 30 tests in 33.177s 166: 166: OK 169: Randomness seeded to: 336705784 169: 37519279 169: 33809418 162/272 Test #166: pyDistGeomHelpers ...................... Passed 33.81 sec test 170 Start 170: pyMolAlign 170: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 170: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolAlign/Wrap 170: Test timeout computed to be: 7200 168: --------------------------------- 168: test getO3AForProbeConfs 168: 168: *********************************************************** 163/272 Test #168: testO3AAlign ........................... Passed 27.33 sec test 171 Start 171: testFeatures 171: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/testFeatures 171: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures 171: Test timeout computed to be: 7200 171: [14:26:52] ------------------------------------- 171: [14:26:52] AtomType parser testing. 171: [14:26:52] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103] 171: [14:26:52] SMARTS Parse Error: check for mistakes around position 40: 171: [14:26:52] ,O,$([S])_101,$([N,O)_102])_103] 171: [14:26:52] ~~~~~~~~~~~~~~~~~~~~^ 171: [14:26:52] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]' 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] FeatureDefinition parser testing. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Test pulling feat defs from a string. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] FeatureDef functionality testing. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] FeatureFactory testing. 171: [14:26:52] 1 171: [14:26:52] 2 171: [14:26:52] 3 171: [14:26:52] 4 171: [14:26:52] 5 171: [14:26:52] 6 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Feature Location testing. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Test building a FeatureFactory from a file 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing Issue 224. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing Issue 225. 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Test Issue346 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Test Issue347 171: [14:26:52] done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing Issue 348. 171: [14:26:52] SMARTS Parse Error: syntax error while parsing: [C[C] 171: [14:26:52] SMARTS Parse Error: check for mistakes around position 3: 171: [14:26:52] [C[C] 171: [14:26:52] ~~^ 171: [14:26:52] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]' 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing Nested AtomType definitions. 171: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing Github Issue #252: crash when calling getPos() with no conformer. 171: [14:26:52] expect a precondition failure message below 171: [14:26:52] 171: 171: **** 171: Pre-condition Violation 171: molecule has no conformers 171: Violation occurred on line 36 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 171: Failed Expression: dp_mol->getNumConformers() 171: ---------- 171: Stacktrace: 171: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 171: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 171: 2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitMolChemicalFeatures.so.1 171: 3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitMolChemicalFeatures.so.1 171: 4# 0x000000000000CA48 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/testFeatures 171: 5# 0x0000000000004A64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/testFeatures 171: 6# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 171: 7# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 171: 8# 0x0000000000005208 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/testFeatures 171: ---------- 171: **** 171: 171: [14:26:52] Done 171: [14:26:52] ------------------------------------- 171: [14:26:52] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol() 171: [14:26:52] done 164/272 Test #171: testFeatures ........................... Passed 0.02 sec test 172 Start 172: pyChemicalFeatures 172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 172: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolChemicalFeatures/Wrap 172: Test timeout computed to be: 7200 172: ......[14:26:52] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ] 172: [14:26:52] SMARTS Parse Error: check for mistakes around position 8: 172: [14:26:52] [N,O;!HQ] 172: [14:26:52] ~~~~~~~^ 172: [14:26:52] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]' 172: ... 172: ---------------------------------------------------------------------- 172: Ran 9 tests in 0.035s 172: 172: OK 169: 1064669315 165/272 Test #172: pyChemicalFeatures ..................... Passed 0.23 sec test 173 Start 173: testShapeHelpers 173: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ShapeHelpers/testShapeHelpers 173: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ShapeHelpers 173: Test timeout computed to be: 7200 173: Randomness seeded to: 434256450 173: =============================================================================== 173: All tests passed (16 assertions in 3 test cases) 173: 166/272 Test #173: testShapeHelpers ....................... Passed 0.04 sec test 174 Start 174: pyShapeHelpers 174: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 174: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ShapeHelpers/Wrap 174: Test timeout computed to be: 7200 169: 292140489 169: =============================================================================== 169: All tests passed (94 assertions in 5 test cases) 169: 167/272 Test #169: molAlignCatchTest ...................... Passed 1.52 sec test 175 Start 175: testMolCatalog 175: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolCatalog/testMolCatalog 175: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolCatalog 175: Test timeout computed to be: 7200 168/272 Test #175: testMolCatalog ......................... Passed 0.02 sec test 176 Start 176: pyMolCatalog 176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 176: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolCatalog/Wrap 176: Test timeout computed to be: 7200 174: . 174: ---------------------------------------------------------------------- 174: Ran 1 test in 0.057s 174: 174: OK 174: Testing Shape Helpers wrapper 169/272 Test #174: pyShapeHelpers ......................... Passed 0.56 sec test 177 Start 177: testGaussianShape 177: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape/testGaussianShape 177: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape 177: Test timeout computed to be: 7200 176: ... 176: ---------------------------------------------------------------------- 176: Ran 3 tests in 0.013s 176: 176: OK 170/272 Test #176: pyMolCatalog ........................... Passed 0.33 sec test 178 Start 178: pyGaussianShapeAlign 178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/GaussianShape/Wrap/test_rdgaussian_shape.py" 178: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GaussianShape/Wrap 178: Test timeout computed to be: 7200 177: Randomness seeded to: 3267949516 177: generating reference data 178: .......... 178: ---------------------------------------------------------------------- 178: Ran 10 tests in 0.531s 178: 178: OK 171/272 Test #178: pyGaussianShapeAlign ................... Passed 0.78 sec test 179 Start 179: moldraw2DTest1 179: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/moldraw2DTest1 179: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D 179: Test timeout computed to be: 7200 179: ----------------- Test 1 179: file test1_1.svg gave hash 1985046227U not the expected 1617157703U 179: file test1_2.svg gave hash 1734406631U not the expected 1799670018U 179: file test1_3.svg gave hash 1372961498U not the expected 2382509631U 179: file test1_4.svg gave hash 2317108477U not the expected 4252277495U 179: file test1_5.svg gave hash 3630896365U not the expected 2811480876U 179: file test1_6.svg gave hash 2011746003U not the expected 2635907956U 179: file test1_7.svg gave hash 3001900409U not the expected 3677608850U 179: Done 179: ----------------- Test 2 179: file test2_1.png gave hash 306125541U not the expected 638584804U 179: file test2_2.png gave hash 2428785574U not the expected 610424244U 179: Done 179: ----------------- Test 4 179: file test4_1.png gave hash 589654215U not the expected 3993974247U 179: file test4_1.svg gave hash 2275116301U not the expected 4157966746U 179: Done 179: ----------------- Test 5 179: file test5_1.png gave hash 896712117U not the expected 571291290U 179: file test5_1.svg gave hash 2411698086U not the expected 4074479420U 179: file test5_2.png gave hash 6102744U not the expected 97265124U 179: file test5_3.png gave hash 2327037583U not the expected 606188176U 179: Done 179: ----------------- Test 6 (atom labels) 179: file test6_1.svg gave hash 3280384589U not the expected 3623418420U 179: file test6_2.svg gave hash 404586776U not the expected 3885689795U 179: file test6_3.svg gave hash 2009537997U not the expected 2753286335U 179: Done 179: ----------------- Test 7 (backgrounds) 179: file test7_1.svg gave hash 843981570U not the expected 1967202587U 179: file test7_1.png gave hash 883302674U not the expected 1322246680U 179: file test7_2.svg gave hash 282341648U not the expected 4217504234U 179: file test7_2.png gave hash 502661019U not the expected 1499012715U 179: Done 179: ----------------- Test8: PrepareMolDrawing 179: Done 179: ----------------- Test multi-threaded drawing 179: reading molecules 179: generating reference drawings 179: processing 179: launch :0 179: launch :1 179: launch :2 179: launch :3 179: Done 179: ----------------- Test Github #781: Rendering single-atom molecules 179: file testGithub781_3.svg gave hash 1424857602U not the expected 1463918610U 179: Done 179: ----------------- Test 3 179: file test3_1.png gave hash 2824134695U not the expected 675908852U 179: file test3_1.svg gave hash 1478649703U not the expected 586189704U 179: file test3_2.png gave hash 2659544223U not the expected 2452584093U 179: file test3_2.svg gave hash 2659342292U not the expected 1700916148U 179: file test3_3.png gave hash 4045487256U not the expected 1907006999U 179: file test3_3.svg gave hash 1819177672U not the expected 1375178959U 179: file test3_4.png gave hash 2128463666U not the expected 2305641511U 179: file test3_4.svg gave hash 2450165916U not the expected 187720898U 179: file test3_5.png gave hash 599131569U not the expected 3842605920U 179: file test3_5.svg gave hash 3974486871U not the expected 300865579U 179: file test3_6.png gave hash 1090035447U not the expected 662622011U 179: file test3_6.svg gave hash 364480952U not the expected 729637096U 179: file test3_7.png gave hash 1832947893U not the expected 469729412U 179: file test3_7.svg gave hash 3884218319U not the expected 2700118064U 179: Done 179: ----------------- Test Github774: upside-down drawings 179: file test774_1.png gave hash 2661766021U not the expected 428322245U 179: file test774_1.svg gave hash 3587623653U not the expected 1108618931U 179: file test774_2.png gave hash 3418927989U not the expected 4095288521U 179: file test774_2.svg gave hash 1872425818U not the expected 577567569U 179: Done 179: ----------------- Test 9 (molecule legends) 179: file test9_1.svg gave hash 1315528346U not the expected 1484349178U 179: Done 179: ----------------- Test Github852: Lines used to wedge bonds are too thick 179: file test852_1.png gave hash 4258411271U not the expected 271517011U 179: file test852_1.svg gave hash 1744975336U not the expected 2306783336U 179: file test852_2.png gave hash 1215670001U not the expected 967452082U 179: file test852_2.svg gave hash 61573920U not the expected 936665195U 179: ---------------- 179: file test852_2a.svg gave hash 2425958898U not the expected 3499587182U 179: ---------------- 179: file test852_2b.svg gave hash 798636033U not the expected 2141021605U 179: ---------------- 179: file test852_2c.svg gave hash 909313347U not the expected 465009830U 179: ---------------- 179: file test852_2d.svg gave hash 2390878355U not the expected 714117851U 179: Done 179: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right 179: file test860_1.png gave hash 19531105U not the expected 2835587240U 179: file test860_1.svg gave hash 718471937U not the expected 4071399203U 179: file test860_2.png gave hash 1956574660U not the expected 1116015475U 179: file test860_2.svg gave hash 4123557700U not the expected 3926063275U 179: file test860_3.png gave hash 4278767290U not the expected 1872467868U 179: file test860_3.svg gave hash 1139264144U not the expected 2583192182U 179: Done 179: ----------------- Test Github #910: ugly coordinates generated for peptide chains 179: file test910_1.svg gave hash 3545896481U not the expected 2101353772U 179: file test910_2.svg gave hash 1875186548U not the expected 3090433026U 179: Done 179: ----------------- Test Github #932: mistake in SVG for wedged bonds 179: Done 179: ----------------- Test Github #953: default color should not be cyan 179: Done 179: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly 179: file test983_1.svg gave hash 977581182U not the expected 2373378601U 179: file test983_2.svg gave hash 1176297024U not the expected 2571223561U 179: Done 179: ----------------- Test Deuterium, Tritium 179: Done 179: ----------------- Test crossed bonds 179: file crossed_bonds.svg gave hash 2357548724U not the expected 3239666213U 179: Done 179: ----------------- Testing drawing a second molecule 179: Done 179: ----------------- Testing drawing a grid of molecules 179: Done 179: ----------------- Testing drawMolecules 179: file test12_1.svg gave hash 882535617U not the expected 3779248118U 179: file test12_5.svg gave hash 4202817644U not the expected 822651752U 179: file test12_3.svg gave hash 76125778U not the expected 2546399002U 179: file test12_4.svg gave hash 76125778U not the expected 2546399002U 179: file test12_2.svg gave hash 215988394U not the expected 3077976371U 179: Done 179: ----------------- Test JSON Configuration 179: file test13_1.svg gave hash 3001826499U not the expected 3606927863U 179: Done 179: ----------------- Testing github 1090: escape html characters in SVG output 179: file testGithub1090_1.svg gave hash 3058378332U not the expected 874921274U 179: Done 179: ----------------- Testing github 1035: overflow bug in SVG color generation 179: Done 179: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes 179: Done 179: ----------------- Testing github 1322: add custom atom labels 179: Done 179: ----------------- Testing use of a black & white palette 179: file test14_1.svg gave hash 2593240709U not the expected 3999745197U 179: file test14_2.svg gave hash 1180313442U not the expected 1367250174U 179: Done 179: ----------------- Testing use of continuous highlighting with drawMolecules 179: Done 179: ----------------- Test 17 - Testing maximum font size 179: file test17_1.svg gave hash 2260184712U not the expected 75329691U 179: file test17_2.svg gave hash 659077001U not the expected 2699803606U 179: file test17_3.svg gave hash 1926066932U not the expected 2996396838U 179: file test17_4.svg gave hash 2257385465U not the expected 2390212603U 179: Done 179: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list 179: Done 179: ----------------- Testing use of fixed scales for drawing. 179: file test18_1.svg gave hash 2822503554U not the expected 1704156856U 179: file test18_2.svg gave hash 87275510U not the expected 597526679U 179: file test18_3.svg gave hash 462714424U not the expected 3425044116U 179: file test18_4.svg gave hash 4133375261U not the expected 1519252882U 179: file test18_5.svg gave hash 3292000573U not the expected 486224214U 179: file test18_6.svg gave hash 1887921954U not the expected 3016814772U 179: file test18_7.svg gave hash 3045567250U not the expected 926168958U 179: Done 179: ----------------- Testing rotation of 2D drawing. 179: file test19_1.svg gave hash 2694201698U not the expected 4060393720U 179: file test19_2.svg gave hash 1246619427U not the expected 4171949096U 179: Done 179: ----------------- Testing inclusion of molecule metadata 179: file test16_1.svg gave hash 1487161020U not the expected 62134348U 179: Done 179: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default 179: file testGithub2063_1.svg gave hash 992781977U not the expected 1908318348U 179: file testGithub2063_2.svg gave hash 992781977U not the expected 1908318348U 179: Done 179: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions 179: file testGithub2151_1.svg gave hash 2256873180U not the expected 4119581143U 179: file testGithub2151_2.svg gave hash 696239778U not the expected 425960913U 179: Done 179: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn 179: Done 179: ----------------- Testing testGithub2931: multi-coloured molecule highlights. 179: file testGithub2931_1.svg gave hash 29840982U not the expected 3635831631U 179: file testGithub2931_2.svg gave hash 4185073635U not the expected 2281185190U 179: file testGithub2931_3.svg gave hash 1425718492U not the expected 2885834646U 179: file testGithub2931_4.svg gave hash 1183187435U not the expected 709559976U 179: Done 179: ----------------- Testing annotation of 2D Drawing. 179: file test20_1.png gave hash 67627015U not the expected 200877868U 179: file test20_1.svg gave hash 186455395U not the expected 4276517022U 179: file test20_2.png gave hash 2612525380U not the expected 1651164846U 179: file test20_2.svg gave hash 2507367286U not the expected 2037634551U 179: file test20_3.png gave hash 612465332U not the expected 1463603076U 179: file test20_3.svg gave hash 1981610256U not the expected 2689385188U 179: file test20_4.png gave hash 3080847849U not the expected 1714613205U 179: file test20_4.svg gave hash 3582806359U not the expected 4113839132U 179: Done 179: ----------------- Test 21 - different font 179: file test21_1.svg gave hash 3619403813U not the expected 390968884U 179: file test21_2.svg gave hash 3451775223U not the expected 3050176664U 179: Done 179: ----------------- Test 22 - draw explicit methyls. 179: file test22_1.svg gave hash 3426768357U not the expected 3688394300U 179: file test22_2.svg gave hash 1936546203U not the expected 1963311622U 179: Done 179: ----------------- Testing drawing of legends. 179: Done 179: ----------------- Test Github 3305 - change and scale line widths. 179: file testGithub3305_1.svg gave hash 3426768357U not the expected 3688394300U 179: file testGithub3305_2.svg gave hash 193465986U not the expected 3172298658U 179: file testGithub3305_3.svg gave hash 3399005512U not the expected 30441258U 179: file testGithub3305_1.png gave hash 772915458U not the expected 3303791649U 179: file testGithub3305_2.png gave hash 3309900643U not the expected 4003267433U 179: file testGithub3305_3.png gave hash 3832602165U not the expected 273338209U 179: file testGithub3305_4.png gave hash 599131569U not the expected 3842605920U 179: file testGithub3305_4.svg gave hash 3974486871U not the expected 300865579U 179: file testGithub3305_5.png gave hash 1364272142U not the expected 151279576U 179: file testGithub3305_5.svg gave hash 3795236178U not the expected 1335449325U 179: file testGithub3305_6.png gave hash 712950745U not the expected 613418460U 179: file testGithub3305_6.svg gave hash 1635410848U not the expected 4242832627U 179: file testGithub3305_7.png gave hash 3078656146U not the expected 2835747678U 179: file testGithub3305_7.svg gave hash 1754352042U not the expected 1080046861U 179: Done 179: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules. 179: file testGithub3391_2.svg gave hash 125472716U not the expected 790336526U 179: file testGithub3391_3.svg gave hash 1123624399U not the expected 1779122782U 179: Done 179: ----------------- Test Github 4156 - bad scale for radicals in grid 179: Done 179: ----------------- Test JSON atomColourPalette 179: file test23_1.svg gave hash 724753536U not the expected 244577595U 179: Done 179: ----------------- Test draw aromatic OR queries 179: file testGithub4496_1.svg gave hash 1913624133U not the expected 148519702U 179: Done 179: ----------------- Test AND queries 179: Done 172/272 Test #179: moldraw2DTest1 ......................... Passed 5.97 sec test 180 Start 180: moldraw2DTestCatch 180: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 180: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D 180: Test timeout computed to be: 7200 180: Randomness seeded to: 764815594 180: file testAtomTags_1.svg gave hash 218578707U not the expected 3187798125U 180: file testAtomTags_2.svg gave hash 3699002592U not the expected 822910240U 180: file testAtomTags_3.svg gave hash 841796060U not the expected 2244078420U 180: file contourMol_1.svg gave hash 4145744301U not the expected 3634867913U 180: file contourMol_2.svg gave hash 3989649685U not the expected 1815941817U 180: file contourMol_3.svg gave hash 1971050659U not the expected 2579392727U 180: file contourMol_4.svg gave hash 1019547012U not the expected 2914799663U 180: file contourMol_5.svg gave hash 1740354641U not the expected 3792684719U 180: file contourMol_6.svg gave hash 4094697931U not the expected 1743220181U 180: file contourMol_7.svg gave hash 3234863128U not the expected 2221193310U 180: file testDativeBonds_2.svg gave hash 3848496661U not the expected 1091476418U 180: file testDativeBonds_2a.svg gave hash 2132663622U not the expected 2463158006U 180: file testDativeBonds_2b.svg gave hash 2143157766U not the expected 3095643972U 180: file testDativeBonds_2c.svg gave hash 3792343097U not the expected 1745138239U 180: file testDativeBonds_2d.svg gave hash 3928103411U not the expected 3279423301U 180: file testFoundations_1.svg gave hash 702673222U not the expected 2283802316U 180: file testFoundations_2.svg gave hash 1574313393U not the expected 2468031318U 180: file testTest_1.svg gave hash 1574313393U not the expected 2468031318U 180: file testAtomBondIndices_1.svg gave hash 616201599U not the expected 2702803018U 180: file testAtomBondIndices_2.svg gave hash 1572186777U not the expected 1564350363U 180: file testAtomBondIndices_3.svg gave hash 2607897548U not the expected 1346662812U 180: file testAtomBondIndices_4.svg gave hash 1781316380U not the expected 662361891U 180: file testAtomBondIndices_5.svg gave hash 793323137U not the expected 1502163147U 180: file testAtomBondIndices_6.svg gave hash 698046127U not the expected 1659568104U 180: file testGithub3226_1.svg gave hash 1436082415U not the expected 831257877U 180: file testGithub3226_1.png gave hash 2316023849U not the expected 3165135374U 180: file testGithub3226_2.svg gave hash 2346125895U not the expected 3517325227U 180: file testGithub3226_2.png gave hash 1874435847U not the expected 643975155U 180: file testGithub3226_3.svg gave hash 1347463652U not the expected 3609721552U 180: file testGithub3226_3.png gave hash 3670629771U not the expected 3119571946U 180: file testPNGMetadata_1.png gave hash 3142094823U not the expected 997629701U 180: file testPNGMetadata_2.png gave hash 3544189014U not the expected 1797853056U 180: file testGithub3369_1.svg gave hash 2877401564U not the expected 1227653771U 180: file testIncludeRadicals_1a.svg gave hash 1368422441U not the expected 1829641340U 180: file testLegendsAndDrawing-1.svg gave hash 2844512849U not the expected 3563802758U 180: file testGithub3577-1.svg gave hash 3105871660U not the expected 763116213U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-1.svg gave hash 2209468531U not the expected 2253418236U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-1.png gave hash 3869491872U not the expected 3894611804U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-2.svg gave hash 2509896462U not the expected 794717511U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-2.png gave hash 265204111U not the expected 1443443188U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-3.svg gave hash 3132677810U not the expected 3982694296U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-3.png gave hash 2090312137U not the expected 865629432U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-4.svg gave hash 201818655U not the expected 2146113517U 180: [14:27:00] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:00] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-4.png gave hash 3196593546U not the expected 3919767093U 180: file testHandDrawn-5a.svg gave hash 3601933132U not the expected 1567781555U 180: [14:27:01] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:01] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 180: file testHandDrawn-5b.svg gave hash 771050606U not the expected 66354106U 180: [14:27:01] Font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/ComicNeue-Regular.ttf not found. 180: [14:27:01] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 170: ..............[14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:01] Molecule does not have explicit Hs. Consider calling AddHs() 180: file testHandDrawn-5.png gave hash 1944459094U not the expected 828378555U 180: file testBrackets-1a.svg gave hash 64586795U not the expected 4189399574U 180: file testBrackets-1b.svg gave hash 219987106U not the expected 3773894816U 180: file testBrackets-1c.svg gave hash 64586795U not the expected 4189399574U 180: file testBrackets-1d.svg gave hash 219987106U not the expected 3773894816U 180: file testBrackets-1e.svg gave hash 3788532828U not the expected 2492125470U 180: file testBrackets-2a.svg gave hash 574382548U not the expected 1050851904U 180: file testBrackets-2b.svg gave hash 1148554894U not the expected 776446765U 180: file testBrackets-2c.svg gave hash 574382548U not the expected 1050851904U 180: file testBrackets-2d.svg gave hash 1148554894U not the expected 776446765U 180: file testBrackets-3a.svg gave hash 1312826578U not the expected 3096284602U 180: file testBrackets-4a.svg gave hash 4109127586U not the expected 3837821771U 180: file testBrackets-4b.svg gave hash 3897543317U not the expected 1477006167U 180: file testBrackets-5a.svg gave hash 294328997U not the expected 1447240271U 180: file testBrackets-5768.svg gave hash 2223513506U not the expected 2559120196U 180: file testSGroupData-1a.svg gave hash 627746375U not the expected 426096222U 180: file testSGroupData-1b.svg gave hash 2982497807U not the expected 1688385103U 180: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 180: file testSGroupData-2a.svg gave hash 1962776608U not the expected 195363059U 180: file testSGroupData-2b.svg gave hash 1195762135U not the expected 942041938U 180: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 180: file testPositionVariation-1.svg gave hash 3048720516U not the expected 1347003808U 180: file testPositionVariation-1b.svg gave hash 1295098836U not the expected 3269244452U 180: file testPositionVariation-2.svg gave hash 1267344267U not the expected 473948585U 180: file testPositionVariation-3.svg gave hash 762081802U not the expected 4039188982U 180: file testPositionVariation-4.svg gave hash 27316031U not the expected 3407574474U 180: file testNoAtomLabels-1.svg gave hash 574617410U not the expected 4255907058U 180: file testNoAtomLabels-2.svg gave hash 4064826243U not the expected 3643749531U 180: file testQueryBonds-1a.svg gave hash 4014427809U not the expected 1525751327U 180: file testQueryBonds-1b.svg gave hash 2936984779U not the expected 2239724223U 180: file testQueryBonds-1c.svg gave hash 3871378016U not the expected 2434786487U 180: file testQueryBonds-2.svg gave hash 2707675342U not the expected 3399320861U 180: file testLinkNodes-2-0.svg gave hash 4034645063U not the expected 145749789U 180: file testLinkNodes-2-30.svg gave hash 672481277U not the expected 3203923109U 180: file testLinkNodes-2-60.svg gave hash 705226084U not the expected 2004079267U 180: file testLinkNodes-2-90.svg gave hash 3571272174U not the expected 171994932U 180: file testLinkNodes-2-120.svg gave hash 230633195U not the expected 673333745U 180: file testLinkNodes-2-150.svg gave hash 1751250656U not the expected 51965551U 180: file testLinkNodes-2-180.svg gave hash 1099619505U not the expected 433020402U 180: file testMolAnnotations-1.svg gave hash 3934947265U not the expected 1638024035U 180: file testMolAnnotations-2a.svg gave hash 1193917943U not the expected 3029896996U 180: file testMolAnnotations-2b.svg gave hash 2355289578U not the expected 3110016833U 180: file testMolAnnotations-2c.svg gave hash 4122989233U not the expected 611992302U 180: file testMolAnnotations-3a.svg gave hash 1541740048U not the expected 55379064U 180: file testMolAnnotations-3b.svg gave hash 2305193104U not the expected 936144383U 180: file testMolAnnotations-3c.svg gave hash 234130169U not the expected 3983292921U 180: file testMolAnnotations-3d.svg gave hash 981930579U not the expected 748075045U 180: file testMolAnnotations-4a.svg gave hash 981625697U not the expected 3474490519U 180: file testLinkNodes-1-0.svg gave hash 1742740041U not the expected 3845035394U 180: file testLinkNodes-1-30.svg gave hash 290570218U not the expected 3207457801U 180: file testLinkNodes-1-60.svg gave hash 293757258U not the expected 2620138210U 180: file testLinkNodes-1-90.svg gave hash 2184207504U not the expected 1457485851U 180: file testLinkNodes-1-120.svg gave hash 1777381842U not the expected 4267267665U 180: file testLinkNodes-1-150.svg gave hash 3520382532U not the expected 574622776U 180: file testLinkNodes-1-180.svg gave hash 638488040U not the expected 2541146503U 180: file testGithub3744.svg gave hash 1280540500U not the expected 387800653U 180: file testAtomLists-1.svg gave hash 3215681292U not the expected 1887579391U 180: file testAtomLists-2.svg gave hash 539170302U not the expected 555139782U 180: file testIsoDummyIso.svg gave hash 3319443622U not the expected 2405371137U 180: file testNoIsoDummyIso.svg gave hash 1461272805U not the expected 748558214U 180: file testIsoNoDummyIso.svg gave hash 2432588025U not the expected 3054263824U 180: file testNoIsoNoDummyIso.svg gave hash 247862132U not the expected 1185561148U 180: file testHydrogenBonds1.svg gave hash 2225826152U not the expected 2605974904U 180: [14:27:01] unrecognized bond typefile testHydrogenBonds2.svg gave hash 4149192934U not the expected 645414593U 180: file testGithub2976.svg gave hash 3591486868U not the expected 4194649417U 180: file testReactionCoords.svg gave hash 3403716630U not the expected 798999015U 180: file testAnnotationColors.svg gave hash 2161803217U not the expected 3297011749U 180: file testGithub4238_1.svg gave hash 969871003U not the expected 1477013392U 180: file testGithub4238_1.png gave hash 654055363U not the expected 2623427676U 180: file testGithub4323_1.svg gave hash 3737732114U not the expected 2536621192U 180: file testGithub4323_2.svg gave hash 239576008U not the expected 2120846759U 180: file testGithub4323_3.svg gave hash 1806358430U not the expected 4156867630U 180: file testGithub4323_4.svg gave hash 3413065852U not the expected 3824125601U 180: file testGithub4323_1.png gave hash 2833944435U not the expected 3075787867U 180: file testGithub4323_3.png gave hash 742450313U not the expected 381907253U 180: file testGithub4508_1.svg gave hash 3997425663U not the expected 2047652713U 180: file testGithub4508_1b.svg gave hash 752613481U not the expected 2681019776U 180: file testGithub4508_2.svg gave hash 140987875U not the expected 1382076550U 180: file testGithub4508_2b.svg gave hash 3248878105U not the expected 4005636724U 180: file testDarkMode.1.svg gave hash 4140885122U not the expected 4157562958U 180: file testMonochrome.1.svg gave hash 1950001511U not the expected 482290994U 180: file testMonochrome.2.svg gave hash 1044275957U not the expected 2128285153U 180: file testAvalon.1.svg gave hash 2114639421U not the expected 477303888U 180: file testCDK.1.svg gave hash 3003822600U not the expected 1764612361U 180: file testBaseFontSize.1a.svg gave hash 2274770920U not the expected 1295117205U 180: file testBaseFontSize.1b.svg gave hash 1203771899U not the expected 3595811515U 180: file testBaseFontSize.2a.svg gave hash 1704350166U not the expected 2958687877U 180: file testBaseFontSize.2b.svg gave hash 3344593609U not the expected 1786972332U 180: file testFlexiCanvas.1a.svg gave hash 1110752127U not the expected 22565973U 180: file testFlexiCanvas.2a.png gave hash 2250756823U not the expected 2609920321U 180: file testFlexiCanvas.2b.png gave hash 2881292101U not the expected 3615599154U 180: file testSemiFlexiCanvas.1b.svg gave hash 2064946936U not the expected 2578007908U 180: file testGithub4764.sz1.svg gave hash 610285283U not the expected 3611125861U 180: file testGithub4764.sz2.svg gave hash 2783146430U not the expected 1936114454U 180: file testGithub4764.sz3.svg gave hash 1877587978U not the expected 2712214121U 180: file testGithub4764.sz1.png gave hash 809863744U not the expected 2179222277U 180: file testGithub4764.sz2.png gave hash 1381423692U not the expected 444262090U 180: file testGithub4764.sz3.png gave hash 1233927300U not the expected 3567162200U 180: file testDrawArc1.svg gave hash 2570257638U not the expected 3279637525U 180: file testMetalWedges.svg gave hash 2228631642U not the expected 2896721486U 180: file testVariableLegend_1.svg gave hash 1321140093U not the expected 1208675629U 180: file testVariableLegend_2.svg gave hash 3801197506U not the expected 799897710U 180: file testVariableLegend_3.svg gave hash 2311818056U not the expected 2599269417U 180: file testGithub_5061.svg gave hash 1693817644U not the expected 2050932431U 180: file testGithub_5269_1.svg gave hash 885640477U not the expected 4160868253U 180: file testGithub_5269_2.svg gave hash 3106933409U not the expected 488926221U 180: file test_classes_wavy_bonds.svg gave hash 717756861U not the expected 1694809514U 180: file github5383_1.svg gave hash 3989649685U not the expected 1815941817U 180: file github5383_2.svg gave hash 65098635U not the expected 0U 180: file github5383_1.png gave hash 1462181073U not the expected 2893520928U 180: file github5156_1.svg gave hash 369772438U not the expected 2145907703U 180: file github5156_2.svg gave hash 215715337U not the expected 4184795863U 180: file acs1996_1.svg gave hash 3677925411U not the expected 1111630317U 180: file acs1996_1.png gave hash 4180586395U not the expected 2329725800U 180: file acs1996_2.svg gave hash 505377582U not the expected 908745273U 180: file acs1996_2.png gave hash 359740943U not the expected 2996350718U 180: file acs1996_3.svg gave hash 826542444U not the expected 879041204U 180: file acs1996_4.svg gave hash 3298235270U not the expected 1550424006U 180: file acs1996_5.svg gave hash 3187680891U not the expected 3624853279U 180: file acs1996_6.svg gave hash 613141399U not the expected 3810124161U 180: file acs1996_7.svg gave hash 3125982476U not the expected 1113821459U 180: file acs1996_8.svg gave hash 3706567198U not the expected 4110469272U 180: file acs1996_9.svg gave hash 1006094864U not the expected 231896677U 180: file acs1996_10.svg gave hash 2806043399U not the expected 2229333301U 180: file acs1996_11.svg gave hash 3532049063U not the expected 4107969968U 180: [14:27:02] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1. The scale will be fixed, and that may not look great with a pre-determined size. 180: file acs1996_12.svg gave hash 3323223576U not the expected 2930884583U 180: file test_unspec_stereo.svg gave hash 738766093U not the expected 3923423666U 180: file light_blue_h_no_label_1.svg gave hash 3446048976U not the expected 1615074554U 180: file bond_highlights_1.svg gave hash 3079376071U not the expected 3461339568U 180: file bond_highlights_2.svg gave hash 1102116292U not the expected 4196744632U 180: file bond_highlights_3.svg gave hash 3096073453U not the expected 1492806612U 180: file bond_highlights_4.svg gave hash 3096073453U not the expected 1492806612U 180: file bond_highlights_5.svg gave hash 1570551460U not the expected 1018090699U 180: file bond_highlights_6.svg gave hash 2160448018U not the expected 2808634572U 180: file bond_highlights_7.svg gave hash 2360961068U not the expected 2160801877U 180: file bond_highlights_8.svg gave hash 582160932U not the expected 3119784980U 180: file bond_highlights_9.svg gave hash 3952673208U not the expected 3999278931U 180: file testGithub5486_1.svg gave hash 1690505493U not the expected 3146085634U 180: file testGithub5511_1.svg gave hash 2052070600U not the expected 3975118836U 180: file testGithub5511_2.svg gave hash 4270414795U not the expected 1730094503U 180: file test_github_5534.svg gave hash 2321188208U not the expected 4139208597U 180: file test_github5704_1.svg gave hash 2750231117U not the expected 1676917819U 180: file test_github5704_2.svg gave hash 2842843814U not the expected 2959183882U 180: file test_github5704_3.svg gave hash 3877554301U not the expected 1303839406U 180: file test_github5704_4.svg gave hash 1994163028U not the expected 578468407U 180: file test_github5767.svg gave hash 3276045309U not the expected 3943519724U 180: file test_github5947.svg gave hash 155317409U not the expected 3122633523U 180: file test_github5943.svg gave hash 2101435859U not the expected 1113511714U 180: file test_github5949.svg gave hash 3224019254U not the expected 420848566U 180: file test_github5974.svg gave hash 1343954295U not the expected 1522014196U 180: file test_github5963.svg gave hash 1303711292U not the expected 941197725U 180: file test_github6025.svg gave hash 1204533871U not the expected 2316385019U 180: file test_github6027_1.svg gave hash 3135827679U not the expected 1504848694U 180: file test_github6027_2.svg gave hash 3945179782U not the expected 765638922U 180: file test_github6041b.svg gave hash 2752681297U not the expected 444537337U 180: file test_complex_query_atoms_1.svg gave hash 1858963124U not the expected 1058348348U 180: file test_complex_query_atoms_2.svg gave hash 1035480271U not the expected 3820627663U 180: file test_complex_query_atoms_3.svg gave hash 1686043631U not the expected 2574610745U 180: file test_complex_query_atoms_4.svg gave hash 1686043631U not the expected 2574610745U 180: file test_complex_query_atoms_5.svg gave hash 2203803203U not the expected 2239402605U 180: file test_complex_query_atoms_6.svg gave hash 3698041037U not the expected 2784917732U 180: file test_complex_query_atoms_7.svg gave hash 1245832599U not the expected 4016570948U 180: file test_complex_query_atoms_8.svg gave hash 1294989648U not the expected 1215989604U 180: file test_complex_query_atoms_9.svg gave hash 1115198970U not the expected 774489308U 180: file test_complex_query_atoms_10.svg gave hash 2517251618U not the expected 1888858967U 180: file test_complex_query_atoms_11.svg gave hash 3242318807U not the expected 2202417832U 180: file test_complex_query_atoms_12.svg gave hash 1172019267U not the expected 4094464645U 180: file test_complex_query_atoms_13.svg gave hash 1243902839U not the expected 2082462146U 180: file test_complex_query_atoms_14.svg gave hash 144421840U not the expected 3306293765U 180: file test_complex_query_atoms_15.svg gave hash 350162044U not the expected 422354297U 180: file test_complex_query_atoms_16.svg gave hash 2056433870U not the expected 1559600050U 180: file test_github6112.svg gave hash 2632528034U not the expected 3278777629U 180: file test_github6160_1.svg gave hash 1868684565U not the expected 1248002094U 180: file test_github6160_2.svg gave hash 406738481U not the expected 3845316354U 180: file test_github6160_3.svg gave hash 3937725957U not the expected 332436229U 180: file test_github6200_1.svg gave hash 1445401918U not the expected 1975293465U 180: file test_github6200_2.svg gave hash 1251662961U not the expected 2658818798U 180: file test_queryColour_1.svg gave hash 1596297458U not the expected 778322651U 180: file test_queryColour_2.svg gave hash 1569318433U not the expected 45913095U 180: file github6336_1.png gave hash 958785365U not the expected 2958833204U 180: file github6336_1.svg gave hash 1390783959U not the expected 612606818U 180: file github6416.svg gave hash 204958662U not the expected 3814405016U 180: file test_github6400_1.svg gave hash 3669796685U not the expected 2792561051U 180: file github6504_1.svg gave hash 3341951270U not the expected 3649936662U 180: file github6504_2.svg gave hash 4040076192U not the expected 106020287U 180: file github6569_1.svg gave hash 1904338201U not the expected 1698514747U 180: file github6569_2.svg gave hash 3753962909U not the expected 3269796969U 180: file lasso_highlights_1.svg gave hash 1486697487U not the expected 3709434534U 180: file lasso_highlights_2.svg gave hash 2337605794U not the expected 757121560U 180: file lasso_highlights_3.svg gave hash 2335828577U not the expected 556406365U 180: file lasso_highlights_4.svg gave hash 418948115U not the expected 4148844874U 180: file lasso_highlights_5.svg gave hash 88179892U not the expected 3920196793U 180: file lasso_highlights_6.svg gave hash 4057458673U not the expected 2113147733U 180: file lasso_highlights_7.svg gave hash 1759335409U not the expected 514868036U 180: file lasso_highlights_8.svg gave hash 2072576322U not the expected 3231367552U 180: file bad_lasso_1.svg gave hash 1824233713U not the expected 726527516U 180: file AtropManyChiralsEnhanced.svg gave hash 1359343050U not the expected 920164649U 180: file testGithub6968.svg gave hash 745568595U not the expected 577496246U 180: file testGithub7036_2.svg gave hash 2093741698U not the expected 2411796331U 180: file testGithub7036_1.svg gave hash 1700645568U not the expected 303621762U 180: file testWedgeNonSingleBonds-1.svg gave hash 1476167396U not the expected 2116685919U 180: file testWedgeNonSingleBonds-2.svg gave hash 465473374U not the expected 1174395532U 180: file testWedgeNonSingleBonds-3.svg gave hash 352082831U not the expected 2542970771U 180: file testWedgeNonSingleBonds-4.svg gave hash 1744898749U not the expected 700876833U 180: file testWedgeNonSingleBonds-5.svg gave hash 725983439U not the expected 2012191155U 180: file testWedgeNonSingleBonds-6.svg gave hash 478779300U not the expected 2517061935U 180: file testWedgeNonSingleBonds-7.svg gave hash 1857386186U not the expected 157069219U 180: file testWedgeNonSingleBonds-8.svg gave hash 1462975976U not the expected 3431784338U 180: file testWedgingShouldBeOnSingleBond.svg gave hash 518479263U not the expected 1002741488U 180: file testDuplicateEnhancedStereoLabelsAddAnnotationFalse.svg gave hash 596604646U not the expected 2980189527U 180: file testDuplicateEnhancedStereoLabelsAddAnnotationTrue.svg gave hash 596604646U not the expected 1462263453U 180: file testComplexQueryAtomMap.svg gave hash 1780085415U not the expected 722421835U 180: file testHighlightHeteroAtoms_1.svg gave hash 3232566000U not the expected 1769258632U 180: file testHighlightHeteroAtoms_2.svg gave hash 118675877U not the expected 893937335U 180: file testGithub_7739_1.svg gave hash 335583911U not the expected 2615562225U 180: file testGithub_7739_2.svg gave hash 4174704494U not the expected 2225049332U 180: file testGithub_7739_3.svg gave hash 1273794203U not the expected 1037942338U 180: file testGithub_7739_4.svg gave hash 1294147499U not the expected 3549083171U 180: file testGithub_7739_5.svg gave hash 3688100005U not the expected 1114216032U 180: file testAtomAbbreviationsClash.svg gave hash 222225321U not the expected 1847939197U 180: file testBlackAtomsUnderHighlight.svg gave hash 4047500871U not the expected 3916069581U 180: file testSmallReactionCanvas.svg gave hash 3709512115U not the expected 2238356155U 180: file testReactionProductSmoothCorners.svg gave hash 388051151U not the expected 882352670U 180: file testOptionalAtomListBrackets_1.svg gave hash 2652009151U not the expected 4239908626U 180: file testOptionalAtomListBrackets_2.svg gave hash 2232605750U not the expected 3881772214U 180: file testOptionalAtomListBrackets_3.svg gave hash 1919645786U not the expected 2945415850U 180: file testComponentPadding_1.svg gave hash 86889591U not the expected 2488754565U 180: file testComponentPadding_2.svg gave hash 3183164058U not the expected 2544322406U 180: file testAtomAndBondLabels_1.svg gave hash 2523710460U not the expected 288825710U 180: file testAtomAndBondLabels_2.svg gave hash 953169392U not the expected 3501435082U 180: file testAtomAndBondLabels_3.svg gave hash 621076868U not the expected 3056536314U 180: file testAtomAndBondLabels_4.svg gave hash 2597310629U not the expected 229616498U 180: file testStandardColoursHighlightedAtoms_1.svg gave hash 450661917U not the expected 4265528904U 180: file testStandardColoursHighlightedAtoms_2.svg gave hash 1628856606U not the expected 2285000572U 180: file testArrowheads.svg gave hash 177824424U not the expected 3318006834U 170: ...[14:27:03] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:03] Molecule does not have explicit Hs. Consider calling AddHs() 170: [14:27:03] Molecule does not have explicit Hs. Consider calling AddHs() 170: ... 170: ---------------------------------------------------------------------- 170: Ran 20 tests in 11.142s 170: 170: OK 170: Testing MolAlign Wrappers 180: =============================================================================== 180: All tests passed (6989 assertions in 133 test cases) 180: 173/272 Test #180: moldraw2DTestCatch ..................... Passed 3.29 sec test 181 Start 181: moldraw2DRxnTest1 181: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1 181: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D 181: Test timeout computed to be: 7200 181: ----------------- Test 1 174/272 Test #170: pyMolAlign ............................. Passed 11.73 sec test 182 Start 182: pyMolDraw2D 182: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 182: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolDraw2D/Wrap 182: Test timeout computed to be: 7200 181: file rxn_test1_1.png gave hash 3317405276U not the expected 801892091U 181: file rxn_test1_1.svg gave hash 2895800765U not the expected 4280849065U 181: file rxn_test1_2.png gave hash 2899151089U not the expected 507435337U 181: file rxn_test1_2.svg gave hash 4048348745U not the expected 2640646320U 181: file rxn_test1_3.png gave hash 2848875571U not the expected 1590809137U 181: file rxn_test1_3.svg gave hash 1730295451U not the expected 2781928588U 181: file rxn_test1_4.png gave hash 1009775803U not the expected 1766700542U 181: file rxn_test1_4.svg gave hash 1951052784U not the expected 437863065U 181: file rxn_test1_5.png gave hash 3826496250U not the expected 2552100594U 181: file rxn_test1_5.svg gave hash 2952130468U not the expected 3590497359U 181: file rxn_test1_6.png gave hash 3183025178U not the expected 3791582903U 181: file rxn_test1_6.svg gave hash 1245887687U not the expected 3289415410U 181: file rxn_test1_7.png gave hash 2325305815U not the expected 1461397406U 181: file rxn_test1_7.svg gave hash 3495425402U not the expected 1831465890U 181: Done 181: ----------------- Test 2: some examples that caused problems in testing 181: file rxn_test2_1.png gave hash 4106437520U not the expected 3551633840U 181: file rxn_test2_1.svg gave hash 3949901881U not the expected 3702350010U 181: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1 CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2 CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C 181: file rxn_test2_2_1.png gave hash 3920834245U not the expected 1268122583U 181: file rxn_test2_2_1.svg gave hash 1373387618U not the expected 3044844617U 181: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4 Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl 181: file rxn_test2_2_2.png gave hash 806627464U not the expected 82821108U 181: file rxn_test2_2_2.svg gave hash 3270107926U not the expected 269990608U 181: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11] Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C 181: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl 181: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8] CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C 181: file rxn_test2_2_3.png gave hash 3266471778U not the expected 3828365604U 181: file rxn_test2_2_3.svg gave hash 1995182177U not the expected 2459428150U 181: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC 181: file rxn_test2_2_4.png gave hash 1128169200U not the expected 1230108677U 181: file rxn_test2_2_4.svg gave hash 3461434985U not the expected 2528579930U 181: Done 181: ----------------- Test 3: test reactant highlighting 181: file rxn_test3_1.png gave hash 3009572282U not the expected 4189980366U 181: file rxn_test3_1.svg gave hash 1630872087U not the expected 2912956802U 181: Done 181: ----------------- Test 4: some examples from SMARTS in testing 181: draw! 181: file rxn_test4_1.png gave hash 1564746031U not the expected 2745201873U 181: file rxn_test4_1.svg gave hash 2517063300U not the expected 1758099294U 181: done 181: file rxn_test4_2.png gave hash 4015148078U not the expected 3094925886U 181: file rxn_test4_2.svg gave hash 1173414643U not the expected 3493436271U 181: Done 175/272 Test #181: moldraw2DRxnTest1 ...................... Passed 0.39 sec test 183 Start 183: testFMCS 183: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/testFMCS 183: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS 183: Test timeout computed to be: 7200 182: ...[14:27:03] Font file /build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolDraw2D/Amadeus.ttf not found. 182: [14:27:03] Falling back to original font file /build/reproducible-path/rdkit-202609.1/Data/Fonts/Telex-Regular.ttf. 182: ............[14:27:03] 182: 182: **** 182: Pre-condition Violation 182: molecule must not be None 182: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp 182: Failed Expression: m 182: ---------- 182: Stacktrace: 182: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 182: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 182: 2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so 182: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector7 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so 182: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 182: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 182: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 182: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 182: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 182: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 182: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 14# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 15# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 16# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 17# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 18# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 182: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 182: 23# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 24# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 182: 25# _PyObject_MakeTpCall in /usr/bin/python3 182: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 27# 0x00000000002AADF4 in /usr/bin/python3 182: 28# 0x00000000000AADF0 in /usr/bin/python3 182: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 30# 0x00000000002AADF4 in /usr/bin/python3 182: 31# 0x00000000000AC98C in /usr/bin/python3 182: 32# 0x000000000019A2B8 in /usr/bin/python3 182: 33# _PyObject_MakeTpCall in /usr/bin/python3 182: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 35# 0x00000000002AADF4 in /usr/bin/python3 182: 36# 0x00000000000AADF0 in /usr/bin/python3 182: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 38# 0x00000000002AADF4 in /usr/bin/python3 182: 39# 0x00000000000AC98C in /usr/bin/python3 182: 40# 0x000000000019A2B8 in /usr/bin/python3 182: 41# _PyObject_MakeTpCall in /usr/bin/python3 182: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 43# 0x00000000002AADF4 in /usr/bin/python3 182: 44# 0x00000000000AADF0 in /usr/bin/python3 182: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 46# 0x00000000002AADF4 in /usr/bin/python3 182: 47# 0x00000000000AC98C in /usr/bin/python3 182: 48# 0x000000000019A2B8 in /usr/bin/python3 182: 49# _PyObject_MakeTpCall in /usr/bin/python3 182: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 51# 0x00000000002AADF4 in /usr/bin/python3 182: 52# 0x00000000000AC98C in /usr/bin/python3 182: 53# 0x0000000000193854 in /usr/bin/python3 182: 54# 0x0000000000189714 in /usr/bin/python3 182: 55# _PyObject_MakeTpCall in /usr/bin/python3 182: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 182: 57# PyEval_EvalCode in /usr/bin/python3 182: 58# 0x000000000033C338 in /usr/bin/python3 182: 59# 0x000000000033ECB8 in /usr/bin/python3 182: 60# 0x000000000033F214 in /usr/bin/python3 182: 61# 0x000000000037E5E8 in /usr/bin/python3 182: 62# Py_BytesMain in /usr/bin/python3 182: 63# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 182: 64# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 182: 65# _start in /usr/bin/python3 182: ---------- 182: **** 182: 182: .......................... 182: ---------------------------------------------------------------------- 182: Ran 41 tests in 0.260s 182: 182: OK 182: json lasso 176/272 Test #182: pyMolDraw2D ............................ Passed 0.65 sec test 184 Start 184: testFMCSCatch 184: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/testFMCSCatch 184: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS 184: Test timeout computed to be: 7200 184: Randomness seeded to: 3156170172 184: Query C1CCCC1 5(5) atoms, 5(5) bonds 184: 1 Seeds:6 MCS 4 atoms, 3 bonds for 0.0002 seconds. bond[0]=0 184: 2 Seeds:8 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 3 Seeds:7 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 4 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 7 Seeds:7 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 8 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 10 Seeds:6 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 11 Seeds:5 MCS 5 atoms, 4 bonds for 0.0003 seconds. bond[0]=0 184: 14 Seeds:5 MCS 5 atoms, 4 bonds for 0.0004 seconds. bond[0]=1 184: 15 Seeds:4 MCS 5 atoms, 4 bonds for 0.0004 seconds. bond[0]=1 184: Target 1 MISMATCHED C1CCCCC1 184: STATISTICS: 184: Total Growing Steps = 18, MCS found on 15 step, for 0.0004 seconds 184: Initial Seeds = 5, Mismatched 0 184: Inspected Seeds = 22 184: Rejected by BestSize = 3 184: IndividualBondExcluded = 0 184: MatchCheck Seeds = 22 184: MatchCalls = 5 184: MatchFound = 4 184: fastMatchCalls = 4 184: fastMatchFound = 3 184: slowMatchCalls = 2 184: slowMatchFound = 1 184: DupCacheFound = 4 0 matched, 4 mismatched 184: HashCache size = 4 keys 184: HashCache size = 4 entries 184: FindHashInCache = 18 184: HashFoundInCache= 13 184: ExactMatchCalls = 13 184: ExactMatchFound = 13 184: =============================================================================== 184: All tests passed (5 assertions in 1 test case) 184: 177/272 Test #184: testFMCSCatch .......................... Passed 0.02 sec test 185 Start 185: pyFMCS 185: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/FMCS/Wrap/testFMCS.py" 185: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/Wrap 185: Test timeout computed to be: 7200 183: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: test32() 183: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds 183: Time elapsed 0.049 seconds 183: 183: test190() 183: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds 183: Time elapsed 0.007 seconds 183: 183: test3() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 183: Time elapsed 0.011 seconds 183: 183: testSimpleFast() 183: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds 183: Time elapsed 0.085 seconds 183: 183: testSimple() 183: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.075 seconds 183: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.091 seconds 183: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 183: Time elapsed 0.087 seconds 183: 183: testSegFault() 183: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.008 seconds 183: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.010 seconds 183: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds 183: Time elapsed 0.010 seconds 183: 183: testThreshold() 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: Time elapsed 0.000 seconds 183: 183: testRing1() 183: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 183: Time elapsed 0.247 seconds 183: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 183: Time elapsed 0.254 seconds 183: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds 183: Time elapsed 0.289 seconds 183: 183: testAtomCompareIsotopes() 183: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds 183: Time elapsed 0.000 seconds 183: 183: testAtomCompareAnyAtom() 183: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds 183: Time elapsed 0.000 seconds 183: 183: testJnk1LigandsDistance() 183: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds 183: Time elapsed 0.007 seconds 183: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds 183: Time elapsed 0.001 seconds 183: 183: test18() 183: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1 183: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds 183: Time elapsed 0.006 seconds 183: 183: test504() 183: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1 183: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds 183: Time elapsed 0.066 seconds 183: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 183: Time elapsed 0.001 seconds 183: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds 183: Time elapsed 0.019 seconds 183: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds 183: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0006 seconds. bond[0]=6 183: STATISTICS: 183: Total Growing Steps = 1, MCS found on 1 step, for 0.0006 seconds 183: Initial Seeds = 1, Mismatched 0 183: Inspected Seeds = 2 183: Rejected by BestSize = 0 183: IndividualBondExcluded = 0 183: MatchCheck Seeds = 2 183: MatchCalls = 2 183: MatchFound = 1 183: fastMatchCalls = 1 183: fastMatchFound = 0 183: slowMatchCalls = 2 183: slowMatchFound = 1 183: DupCacheFound = 0 0 matched, 0 mismatched 183: HashCache size = 1 keys 183: HashCache size = 1 entries 183: FindHashInCache = 2 183: HashFoundInCache= 0 183: ExactMatchCalls = 0 183: ExactMatchFound = 0 183: Time elapsed 0.001 seconds 183: query=OCCl SubstructMatch(useChirality=false) res =1 size=3 183: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3 183: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CCC useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CCC useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CCC(F)Cl query = CC useChirality = 0 183: res sub = 1 size=2 183: MCS: [#6]-[#6] 2 atoms, 1 bonds 183: test target = CCC(F)Cl query = CC useChirality = 1 183: res sub = 1 size=2 183: MCS: [#6]-[#6] 2 atoms, 1 bonds 183: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 183: res sub = 0 size=0 183: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = OC(F)CCl query = OC(F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = OC(F)C useChirality = 1 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#9] 1 atoms, 0 bonds 183: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 183: res sub = 1 size=4 183: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 183: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 183: res sub = 0 size=0 183: MCS: [#9] 1 atoms, 0 bonds 183: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 183: res sub = 1 size=3 183: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 183: 183: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 183: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 183: res sub = 1 size=3 183: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: done 183: [14:27:06] The provided InitialSeed is not an MCS and will be ignored 157: [14:27:07] done 157: building molecules 157: generating reference data 185: ........................................[14:27:07] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:07] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:07] The provided InitialSeed is not an MCS and will be ignored 185: .[14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: .[14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: .[14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: [14:27:08] The provided InitialSeed is not an MCS and will be ignored 185: ................. 185: ---------------------------------------------------------------------- 185: Ran 60 tests in 3.872s 185: 185: OK 178/272 Test #185: pyFMCS ................................. Passed 4.11 sec test 186 Start 186: FMCStest 186: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/Test/FMCStest 186: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/FMCS/Test 186: Test timeout computed to be: 7200 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: no_108_57887.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_16827.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 186: 186: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: t() chembl_II_sets/Target_no_121_37434.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58700.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: xt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_34734.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: fopen testChEMBL_Txt(): No such file or directory 186: 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_12377.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 186: 186: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 186: 186: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 186: ERROR: RDKit could not load input file 186: 186: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 186: ERROR: RDKit could not load input file 179/272 Test #186: FMCStest ............................... Passed 0.02 sec test 187 Start 187: molHashCatchTest 187: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolHash/molHashCatchTest 187: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolHash 187: Test timeout computed to be: 7200 187: Randomness seeded to: 408877738 187: =============================================================================== 187: All tests passed (451 assertions in 20 test cases) 187: 180/272 Test #187: molHashCatchTest ....................... Passed 0.09 sec test 188 Start 188: pyMolHash 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolHash/Wrap/testMolHash.py" 188: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolHash/Wrap 188: Test timeout computed to be: 7200 188: .... 188: ---------------------------------------------------------------------- 188: Ran 4 tests in 0.012s 188: 188: OK 181/272 Test #188: pyMolHash .............................. Passed 0.22 sec test 189 Start 189: testMMPA 189: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MMPA/testMMPA 189: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MMPA 189: Test timeout computed to be: 7200 189: 189: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 189: Time elapsed 0.004747 seconds 189: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 14: NOREF. Reference data NOT LISTED in test case. 189: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 189: ----------------------------------- 189: Time elapsed 0.004027 seconds 189: 189: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 189: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 189: 1: PASSED. matchedRefRes = 4 189: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2] 189: 2: PASSED. matchedRefRes = 1 189: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2] 189: 3: PASSED. matchedRefRes = 6 189: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2] 189: 4: PASSED. matchedRefRes = 13 189: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2] 189: 5: PASSED. matchedRefRes = 12 189: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 189: 6: PASSED. matchedRefRes = 10 189: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 10: PASSED. matchedRefRes = 3 189: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 12: PASSED. matchedRefRes = 8 189: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 13: PASSED. matchedRefRes = 9 189: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 14: PASSED. matchedRefRes = 11 189: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 15: PASSED. matchedRefRes = 2 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 189: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: ----------------------------------- 189: 189: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 189: Time elapsed 0.004069 seconds 189: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 189: 1: PASSED. matchedRefRes = 4 189: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2] 189: 2: PASSED. matchedRefRes = 1 189: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2] 189: 3: PASSED. matchedRefRes = 6 189: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2] 189: 4: PASSED. matchedRefRes = 13 189: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2] 189: 5: PASSED. matchedRefRes = 12 189: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 189: 6: PASSED. matchedRefRes = 10 189: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 189: 10: PASSED. matchedRefRes = 3 189: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 12: PASSED. matchedRefRes = 8 189: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 189: 13: PASSED. matchedRefRes = 9 189: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 14: PASSED. matchedRefRes = 11 189: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 189: 15: PASSED. matchedRefRes = 2 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 189: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 189: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 189: ----------------------------------- 189: 189: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE 189: Time elapsed 0.001076 seconds 189: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1] 189: 1: PASSED. matchedRefRes = 2 189: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1] 189: 2: PASSED. matchedRefRes = 3 189: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2] 189: 4: PASSED. matchedRefRes = 4 189: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1] 189: 5: PASSED. matchedRefRes = 5 189: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1] 189: 7: PASSED. matchedRefRes = 7 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3] 189: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2] 189: ----------------------------------- 189: 189: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 189: Time elapsed 0.004527 seconds 189: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 189: 14: NOREF. Reference data NOT LISTED in test case. 189: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- UNMATCHED Reference RESULTS: --- 189: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 189: ----------------------------------- 189: 189: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2 189: Time elapsed 0.005008 seconds 189: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1 189: 1: NOREF. Reference data NOT LISTED in test case. 189: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1 189: 2: NOREF. Reference data NOT LISTED in test case. 189: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1 189: 3: NOREF. Reference data NOT LISTED in test case. 189: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1 189: 4: NOREF. Reference data NOT LISTED in test case. 189: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1 189: 5: NOREF. Reference data NOT LISTED in test case. 189: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1 189: 6: NOREF. Reference data NOT LISTED in test case. 189: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1 189: 7: NOREF. Reference data NOT LISTED in test case. 189: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1 189: 8: NOREF. Reference data NOT LISTED in test case. 189: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1 189: 9: NOREF. Reference data NOT LISTED in test case. 189: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1 189: 10: NOREF. Reference data NOT LISTED in test case. 189: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1 189: 11: NOREF. Reference data NOT LISTED in test case. 189: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1] 189: 12: NOREF. Reference data NOT LISTED in test case. 189: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2] 189: 13: NOREF. Reference data NOT LISTED in test case. 189: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1 189: 14: PASSED. matchedRefRes = 1 189: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1 189: 15: NOREF. Reference data NOT LISTED in test case. 189: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1] 189: 16: NOREF. Reference data NOT LISTED in test case. 189: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1 189: 17: NOREF. Reference data NOT LISTED in test case. 189: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1 189: 18: NOREF. Reference data NOT LISTED in test case. 189: 189: --- ALL PASSED --- 189: ----------------------------------- 189: 5 TEST CASES FAILED 182/272 Test #189: testMMPA ............................... Passed 0.12 sec test 190 Start 190: pyMMPA 190: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MMPA/Wrap/testMMPA.py" 190: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MMPA/Wrap 190: Test timeout computed to be: 7200 157: validating reference data 190: ......... 190: ---------------------------------------------------------------------- 190: Ran 9 tests in 1.314s 190: 190: OK 183/272 Test #190: pyMMPA ................................. Passed 1.52 sec test 191 Start 191: testRascalMCES 191: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/testRascalMCES 191: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES 191: Test timeout computed to be: 7200 157: processing 157: launch :0 157: launch :1 157: launch :2 157: launch :3 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 183: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 183: TOTAL Time elapsed 11.92 seconds 184/272 Test #183: testFMCS ............................... Passed 11.94 sec test 192 Start 192: testRascalCluster 192: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/testRascalCluster 192: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES 192: Test timeout computed to be: 7200 177: reference time: 23939ms 177: parallel loop 192: Randomness seeded to: 734037167 192: /build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/data/chembl_1907596.smi 191: Randomness seeded to: 2029762696 191: [14:27:20] Timed out after 2 seconds. 191: =============================================================================== 191: All tests passed (1594 assertions in 36 test cases) 191: 185/272 Test #191: testRascalMCES ......................... Passed 10.21 sec test 193 Start 193: pyRascalMCES 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py" 193: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RascalMCES/Wrap 193: Test timeout computed to be: 7200 193: ..........[14:27:20] Too many matching bond pairs (1032) so can't continue. 193: .... 193: ---------------------------------------------------------------------- 193: Ran 14 tests in 1.231s 193: 193: OK 186/272 Test #193: pyRascalMCES ........................... Passed 1.76 sec test 194 Start 194: testSynthonSpaceSubstructureSearch 194: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch 194: Test timeout computed to be: 7200 194: Randomness seeded to: 2485201006 194: [14:27:23] Writing the enumerated file may take quite some time and result in a large file. 177: parallel time: 8001ms 177: =============================================================================== 177: All tests passed (798 assertions in 20 test cases) 177: 187/272 Test #177: testGaussianShape ...................... Passed 32.70 sec test 195 Start 195: testSynthonSpaceFingerprintSearch 195: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceFingerprintSearch 195: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch 195: Test timeout computed to be: 7200 195: Randomness seeded to: 596502994 195: [14:27:25] Building the fingerprints of 7 synthons may take some time. 195: [14:27:25] Building the fingerprints may take some time. 195: [14:27:25] Building the fingerprints of 6 synthons may take some time. 195: [14:27:25] Building the fingerprints may take some time. 194: [14:27:26] Building the fingerprints of 7 synthons may take some time. 194: [14:27:26] Building the fingerprints may take some time. 194: [14:27:26] Building the fingerprints of 7 synthons may take some time. 194: [14:27:26] Building the fingerprints may take some time. 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 8 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 29 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 49 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 70 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 89 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 111 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 132 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 153 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 175 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 195 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 215 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 236 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 256 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 278 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 297 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 319 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 339 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 360 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 380 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 402 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 422 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 443 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 464 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 484 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 505 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 525 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 547 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 566 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 586 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 605 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 624 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 645 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 666 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 686 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 707 161: [14:27:26] UFFTYPER: Warning: hybridization set to SP3 for atom 729 195: [14:27:26] Building the fingerprints of 7 synthons may take some time. 195: [14:27:26] Building the fingerprints may take some time. 161: [14:27:27] Molecule was not parametrized succesfully with the selected force field. Falling back to the Universal Force Field! 161: [14:27:27] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 161: [14:27:27] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 161: [14:27:27] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 161: [14:27:27] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 161: ----------- 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 161: ----------- 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 161: ----------- 161: ----------- 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: [14:27:27] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 161: =============================================================================== 161: All tests passed (3059 assertions in 11 test cases) 161: 188/272 Test #161: distGeomHelpersCatch-shard-1/3 ......... Passed 76.22 sec test 196 Start 196: testSynthonSpaceRascalSearch 196: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceRascalSearch 196: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch 196: Test timeout computed to be: 7200 163: =============================================================================== 163: All tests passed (6524 assertions in 10 test cases) 163: 189/272 Test #163: distGeomHelpersCatch-shard-3/3 ......... Passed 75.27 sec test 197 Start 197: testSynthonSpaceShapeSearch 197: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceShapeSearch 197: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch 197: Test timeout computed to be: 7200 196: Randomness seeded to: 2157778447 196: =============================================================================== 196: All tests passed (22 assertions in 2 test cases) 196: 190/272 Test #196: testSynthonSpaceRascalSearch ........... Passed 2.91 sec test 198 Start 198: pySynthonSpaceSearch 198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SynthonSpaceSearch/Wrap/testSynthonSpaceSearch.py" 198: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/Wrap 198: Test timeout computed to be: 7200 195: [14:27:30] Building the fingerprints of 3 synthons may take some time. 195: [14:27:30] Building the fingerprints may take some time. 194: [14:27:34] 194: 194: **** 194: Invariant Violation 194: molzip: bond info not properly setup for bgn atom with label:1 194: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 194: Failed Expression: bond.a 194: ---------- 194: Stacktrace: 194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 194: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 194: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 194: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 194: 5# RDKit::SynthonSpaceSearch::SynthonSet::buildMolecule(std::vector > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 194: 6# RDKit::SynthonSpaceSearch::SynthonSet::buildSampleMolecules(std::vector >, std::allocator > > >, std::allocator >, std::allocator > > > > > const&, unsigned long) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 194: 7# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 194: 8# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 194: 9# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 194: 10# 0x00000000000693D0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 11# 0x00000000000CF48C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 12# 0x00000000000D0B40 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 13# 0x00000000000D0F98 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 14# 0x00000000000A2864 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 15# 0x00000000000A2DCC in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 16# 0x0000000000064428 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: 17# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 194: 18# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 194: 19# 0x00000000000644B0 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 194: ---------- 194: **** 194: 194: [14:27:34] Explicit valence for atom # 4 C, 5, is greater than permitted 197: Randomness seeded to: 2982341023 197: [14:27:36] Building the conformers of 7 synthons may take some time. 198: ..[14:27:39] Writing the enumerated file may take quite some time and result in a large file. 197: [14:27:42] The query molecule needs a 3D conformer. 197: [14:27:42] Building the conformers of 2 synthons may take some time. 197: [14:27:42] UFFTYPER: Unrecognized atom type: Pd6+2 (1) 197: [14:27:50] Building the conformers of 6 synthons may take some time. 197: [14:27:51] Building the conformers of 3 synthons may take some time. 195: =============================================================================== 195: All tests passed (81 assertions in 6 test cases) 195: 191/272 Test #195: testSynthonSpaceFingerprintSearch ...... Passed 27.09 sec test 199 Start 199: testEnumerateStereoisomers 199: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers/testEnumerateStereoisomers 199: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers 199: Test timeout computed to be: 7200 157: [14:27:56] done 157: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 157: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 157: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 157: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 157: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 157: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 157: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 157: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 157: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 157: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 157: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 157: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 157: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 192: =============================================================================== 192: All tests passed (93 assertions in 5 test cases) 192: 192/272 Test #192: testRascalCluster ...................... Passed 51.95 sec test 200 Start 200: pyNewEnumerateStereoisomers 200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/EnumerateStereoisomers/Wrap/testEnumerateStereoisomers.py" 200: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/EnumerateStereoisomers/Wrap 200: Test timeout computed to be: 7200 157: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 200: ... 200: ---------------------------------------------------------------------- 200: Ran 3 tests in 0.549s 200: 200: OK 193/272 Test #200: pyNewEnumerateStereoisomers ............ Passed 0.81 sec test 201 Start 201: testCIPLabeler 201: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler 201: Test timeout computed to be: 7200 201: Randomness seeded to: 1903967551 201: [14:28:08] 201: 201: **** 201: Pre-condition Violation 201: Atoms bitset size does not match number of atoms 201: Violation occurred on line 350 in file ./Code/GraphMol/CIPLabeler/CIPLabeler.cpp 201: Failed Expression: atoms.size() == mol.getNumAtoms() 201: ---------- 201: Stacktrace: 201: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 201: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 201: 2# 0x0000000000050008 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 3# 0x00000000000356B4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 4# 0x000000000009C76C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 5# 0x000000000009DE20 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 6# 0x000000000009E278 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 7# 0x000000000006F9E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 8# 0x000000000006FF4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 9# 0x0000000000024088 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 12# 0x0000000000024110 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: ---------- 201: **** 201: 201: [14:28:08] 201: 201: **** 201: Pre-condition Violation 201: Bonds bitset size does not match number of bonds 201: Violation occurred on line 352 in file ./Code/GraphMol/CIPLabeler/CIPLabeler.cpp 201: Failed Expression: bonds.size() == mol.getNumBonds() 201: ---------- 201: Stacktrace: 201: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 201: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 201: 2# 0x0000000000050170 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 3# 0x00000000000355F8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 4# 0x000000000009C76C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 5# 0x000000000009DE20 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 6# 0x000000000009E278 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 7# 0x000000000006F9E4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 8# 0x000000000006FF4C in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 9# 0x0000000000024088 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: 10# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 11# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 201: 12# 0x0000000000024110 in /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/testCIPLabeler 201: ---------- 201: **** 201: 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] non kekulizable aromatic bond being treated as bond order 1 201: [14:28:08] Interrupted, cancelling CIP label calculation 201: [14:28:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 201: [14:28:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 201: =============================================================================== 201: All tests passed (6729 assertions in 29 test cases) 201: 194/272 Test #201: testCIPLabeler ......................... Passed 0.48 sec test 202 Start 202: pyCIPLabelsWrapTest 202: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py" 202: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/Wrap 202: Test timeout computed to be: 7200 197: =============================================================================== 197: All tests passed (108 assertions in 12 test cases) 197: 195/272 Test #197: testSynthonSpaceShapeSearch ............ Passed 39.76 sec test 203 Start 203: pyCIPLabelsValidation 203: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py" 203: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/CIPLabeler/Wrap 203: Test timeout computed to be: 7200 157: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 202: .... 202: ---------------------------------------------------------------------- 202: Ran 4 tests in 0.015s 202: 202: OK 196/272 Test #202: pyCIPLabelsWrapTest .................... Passed 0.22 sec test 204 Start 204: deprotectTest 204: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Deprotect/deprotectTest 204: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Deprotect 204: Test timeout computed to be: 7200 204: Randomness seeded to: 2847683896 204: =============================================================================== 204: All tests passed (111 assertions in 3 test cases) 204: 197/272 Test #204: deprotectTest .......................... Passed 0.07 sec test 205 Start 205: pyDeprotect 205: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Deprotect/Wrap/rough_test.py" 205: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Deprotect/Wrap 205: Test timeout computed to be: 7200 205: ..... 205: ---------------------------------------------------------------------- 205: Ran 5 tests in 0.034s 205: 205: OK 205: Testing tert-butyldimethylsilyl 205: Testing methoxytrityl 205: Testing tetrahydropyranyl 205: Testing methoxymethyl_ether 205: Testing beta-Methoxyethoxymethyl_ether 205: Testing benzyl 205: Testing trimethylsilyl 205: Testing benzoyl 205: Testing pivaloyl 205: Testing triisopropylsilyl 205: Testing acetyl 205: Testing para-methoxybenzyl_ether 205: Testing triphenylmethyl 205: Testing phthaloyl 205: Testing trimethylsilylethoxymethyl 205: Testing para-methoxyphenyl 205: Testing tosyl 205: Testing tert-butyloxycarbonyl 205: Testing trifluoroacetyl 205: Testing benzoyl 205: Testing 9-fluorenylmethyloxycarbonyl 205: Testing benzylamine 205: Testing acetamide 205: Testing carbobenzyloxy 205: Testing Acetal/Ketal 205: Testing tert-butyldimethylsilyl 205: Testing methoxytrityl 205: Testing tetrahydropyranyl 205: Testing methoxymethyl_ether 205: Testing beta-Methoxyethoxymethyl_ether 205: Testing benzyl 205: Testing trimethylsilyl 205: Testing benzoyl 205: Testing pivaloyl 205: Testing triisopropylsilyl 205: Testing acetyl 205: Testing para-methoxybenzyl_ether 205: Testing triphenylmethyl 205: Testing phthaloyl 205: Testing trimethylsilylethoxymethyl 205: Testing para-methoxyphenyl 205: Testing tosyl 205: Testing tert-butyloxycarbonyl 205: Testing trifluoroacetyl 205: Testing benzoyl 205: Testing 9-fluorenylmethyloxycarbonyl 205: Testing benzylamine 205: Testing acetamide 205: Testing carbobenzyloxy 205: Testing Acetal/Ketal 198/272 Test #205: pyDeprotect ............................ Passed 0.25 sec test 206 Start 206: testReducedGraphs 206: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs/testReducedGraphs 206: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs 206: Test timeout computed to be: 7200 206: Size: 315 [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ] 206: 199/272 Test #206: testReducedGraphs ...................... Passed 0.03 sec test 207 Start 207: pyReducedGraphs 207: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py" 207: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ReducedGraphs/Wrap 207: Test timeout computed to be: 7200 207: ..... 207: ---------------------------------------------------------------------- 207: Ran 5 tests in 0.013s 207: 207: OK 200/272 Test #207: pyReducedGraphs ........................ Passed 0.33 sec test 208 Start 208: trajectoryTest 208: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Trajectory/trajectoryTest 208: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Trajectory 208: Test timeout computed to be: 7200 157: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 201/272 Test #208: trajectoryTest ......................... Passed 0.46 sec test 209 Start 209: substructLibraryTest 209: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/substructLibraryTest 209: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary 209: Test timeout computed to be: 7200 157: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 194: =============================================================================== 194: All tests passed (193 assertions in 26 test cases) 194: 202/272 Test #194: testSynthonSpaceSubstructureSearch ..... Passed 49.90 sec test 210 Start 210: substructLibraryCatchTest 210: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest 210: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary 210: Test timeout computed to be: 7200 210: Randomness seeded to: 1790036472 210: =============================================================================== 210: All tests passed (171 assertions in 5 test cases) 210: 203/272 Test #210: substructLibraryCatchTest .............. Passed 0.17 sec test 211 Start 211: pySubstructLibrary 211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py" 211: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SubstructLibrary/Wrap 211: Test timeout computed to be: 7200 157: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 157: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 203: VS001: PASSED 203: VS002: PASSED 203: VS003: PASSED 203: VS004: PASSED 203: VS005: PASSED 203: VS006: PASSED 203: VS007: PASSED 203: VS008: PASSED 203: VS009: PASSED 203: VS010: PASSED 203: VS011: PASSED 203: VS012: PASSED 203: VS013: PASSED 203: VS014: PASSED 203: VS015: PASSED 203: VS016: PASSED 203: VS017: PASSED 203: VS018: PASSED 203: VS019: PASSED 203: VS020: PASSED 203: VS021: PASSED 203: VS022: PASSED 203: VS023: PASSED 203: VS024: PASSED 203: VS025: PASSED 203: VS026: PASSED 203: VS027: PASSED 203: VS028: PASSED 203: VS029: PASSED 203: VS030: PASSED 203: VS031: PASSED 203: VS032: PASSED 203: VS033: PASSED 203: VS034: PASSED 203: VS035: PASSED 203: VS036: PASSED 203: VS037: PASSED 203: VS038: PASSED 203: VS039: PASSED 203: VS040: PASSED 203: VS041: PASSED 203: VS042: PASSED 203: VS043: PASSED 203: VS044: PASSED 203: VS045: PASSED 203: VS046: PASSED 203: VS047: PASSED 203: VS048: PASSED 203: VS049: PASSED 203: VS050: PASSED 203: VS051: PASSED 203: VS052: PASSED 203: VS053: PASSED 203: VS054: PASSED 203: VS055: PASSED 203: VS056: PASSED 203: VS057: PASSED 203: VS058: PASSED 203: VS059: PASSED 203: VS060: PASSED 203: VS061: PASSED 203: VS062: PASSED 203: VS063: PASSED 203: VS064: PASSED 203: VS065: PASSED 203: VS066: PASSED 203: VS067: PASSED 203: VS068: PASSED 203: VS069: PASSED 203: VS070: PASSED 203: VS071: PASSED 203: VS072: PASSED 203: VS073: PASSED 203: VS074: PASSED 203: VS075: PASSED 203: VS076: PASSED 203: VS077: PASSED 203: VS078: PASSED 203: VS079: PASSED 203: VS080: PASSED 203: VS081: 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VS134: PASSED 203: VS135: PASSED 203: VS136: PASSED 203: VS137: PASSED 203: VS138: PASSED 203: VS139: PASSED 203: VS140: PASSED 203: VS141: PASSED 203: VS142: PASSED 203: VS143: PASSED 203: VS144: PASSED 203: VS145: PASSED 203: VS146: PASSED 203: VS147: PASSED 203: VS148: PASSED 203: VS149: PASSED 203: VS150: PASSED 203: VS151: PASSED 203: VS152: PASSED 203: VS153: PASSED 203: VS154: PASSED 203: VS155: PASSED 203: VS156: PASSED 203: VS157: PASSED 203: VS158: PASSED 203: VS159: PASSED 203: VS160: PASSED 203: VS161: PASSED 203: VS162: PASSED 203: VS163: PASSED 203: VS164: PASSED 203: VS165: PASSED 203: VS166: PASSED 203: VS167: PASSED 203: VS168: PASSED 203: VS169: PASSED 203: VS170: PASSED 203: VS171: PASSED 203: VS172: PASSED 203: VS173: PASSED 203: VS174: PASSED 203: VS175: PASSED 203: VS176: PASSED 203: VS177: PASSED 203: VS178: PASSED 203: VS179: PASSED 203: VS180: PASSED 203: VS181: PASSED 203: VS182: PASSED 203: VS183: PASSED 203: VS184: PASSED 203: VS185: PASSED 203: VS186: PASSED 203: VS187: PASSED 203: VS188: PASSED 203: VS189: PASSED 203: VS190: PASSED 203: VS191: PASSED 203: VS192: PASSED 203: VS193: PASSED 203: VS194: PASSED 203: VS195: PASSED 203: VS196: PASSED 203: VS197: PASSED 203: VS198: PASSED 203: VS199: PASSED 203: VS200: PASSED 203: VS201: PASSED 203: VS202: PASSED 203: VS203: PASSED 203: VS204: PASSED 203: VS205: PASSED 203: VS206: PASSED 203: VS207: PASSED 203: VS208: PASSED 203: VS209: PASSED 203: VS210: PASSED 203: VS211: PASSED 203: VS212: PASSED 203: VS213: PASSED 203: VS214: PASSED 203: VS215: PASSED 203: VS216: PASSED 203: VS217: PASSED 203: VS218: PASSED 203: VS219: PASSED 203: VS220: PASSED 203: VS221: PASSED 203: VS222: PASSED 203: VS223: PASSED 203: VS224: PASSED 203: VS225: PASSED 203: VS226: PASSED 203: VS227: PASSED 203: VS228: PASSED 203: VS229: PASSED 203: VS230: PASSED 203: VS231: PASSED 203: VS232: PASSED 203: VS233: PASSED 203: VS234: PASSED 203: VS235: PASSED 203: VS236: PASSED 203: VS237: PASSED 203: VS238: PASSED 203: VS239: PASSED 203: VS240: PASSED 203: VS241: PASSED 203: VS242: PASSED 203: VS243: PASSED 203: VS244: PASSED 203: VS245: PASSED 203: VS246: PASSED 203: VS247: PASSED 203: VS248: PASSED 203: VS249: PASSED 203: VS250: PASSED 203: VS251: PASSED 203: VS252: PASSED 203: VS253: PASSED 203: VS254: PASSED 203: VS255: PASSED 203: VS256: PASSED 203: VS257: PASSED 203: VS258: PASSED 203: VS259: PASSED 203: VS260: PASSED 203: VS261: PASSED 203: VS262: PASSED 203: VS263: PASSED 203: VS264: PASSED 203: VS265: PASSED 203: VS266: PASSED 203: VS267: PASSED 203: VS268: PASSED 203: VS269: PASSED 203: VS270: PASSED 203: VS271: PASSED 203: VS272: PASSED 203: VS273: PASSED 203: VS274: PASSED 203: VS275: PASSED 203: VS276: PASSED 203: VS277: PASSED 203: VS278: PASSED 203: VS279: PASSED 203: VS280: PASSED 203: VS281: PASSED 203: VS282: PASSED 203: VS283: PASSED 203: VS284: PASSED 203: VS285: PASSED 203: VS286: PASSED 203: VS287: PASSED 203: VS288: PASSED 203: VS289: PASSED 203: VS290: PASSED 203: VS291: PASSED 203: VS292: PASSED 203: VS293: PASSED 203: VS294: PASSED 203: VS295: PASSED 203: VS296: PASSED 203: VS297: PASSED 203: VS298: PASSED 203: VS299: PASSED 203: VS300: PASSED 203: Check finished: 0 molecules failed. 203: Failed: 204/272 Test #203: pyCIPLabelsValidation .................. Passed 5.15 sec test 212 Start 212: testRGroupDecomp 212: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition/testRGroupDecomp 212: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition 212: Test timeout computed to be: 7200 157: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 209: Randomness seeded to: 1723561286 209: [14:28:14] [14:28:14] [14:28:14] SMILES[14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdfSMILES Parse Error: Parse Error: [14:28:14] SMILES Parse Error: syntax errorsyntax error[14:28:14] syntax error while parsing: while parsing: dsafsdfSMILES[14:28:14] SMILES Parse Error: 209: [14:28:14] SMILES Parse Error: check for mistakes around position while parsing: Parse Error: syntax error[14:28:14] SMILES 209: Parse Error: syntax error while parsing: dsafsdfdsafsdfSMILES[14:28:14] SMILES[14:28:14] 1SMILES: Parse Error: dsafsdfsyntax error 209: syntax error 209: 209: while parsing: Parse Error: while parsing: 209: [14:28:14] SMILES[14:28:14] [14:28:14] while parsing: SMILES Parse Error: [14:28:14] syntax error[14:28:14] Parse Error: syntax error while parsing: dsafsdf[14:28:14] Parse Error: [14:28:14] dsafsdfdsafsdfsyntax error 209: dsafsdf 209: while parsing: syntax error[14:28:14] while parsing: 209: dsafsdf[14:28:14] SMILESSMILES 209: SMILES 209: while parsing: SMILESSMILESdsafsdf[14:28:14] [14:28:14] [14:28:14] SMILES 209: Parse Error: check for mistakes around position [14:28:14] dsafsdf Parse Error: Parse Error: 1[14:28:14] Parse Error: SMILESdsafsdfSMILES 209: [14:28:14] SMILES Parse Error: check for mistakes around position 209: SMILESSMILES Parse Error: syntax errorsyntax error:syntax error[14:28:14] Parse Error: check for mistakes around position [14:28:14] [14:28:14] SMILES Parse Error: check for mistakes around position 1 Parse Error: check for mistakes around position [14:28:14] while parsing: SMILESdsafsdf 209: [14:28:14] SMILES Parse Error: [14:28:14] SMILESSMILESsyntax error while parsing: Parse Error: check for mistakes around position dsafsdf Parse Error: check for mistakes around position Parse Error: check for mistakes around position while parsing: [14:28:14] 1dsafsdfSMILES1:syntax error Parse Error: : Parse Error: 1 Parse Error: 209: 209: 1 Parse Error: [14:28:14] 1syntax error while parsing: SMILES Parse Error: 209: while parsing: ^[14:28:14] syntax error[14:28:14] [14:28:14] [14:28:14] dsafsdf: 209: [14:28:14] SMILES: Parse Error: [14:28:14] ::syntax error 209: syntax error[14:28:14] 1[14:28:14] while parsing: SMILESSMILES while parsing: 209: SMILES 209: SMILES 209: 209: syntax errorsyntax error Parse Error: check for mistakes around position dsafsdfSMILES while parsing: while parsing: dsafsdf[14:28:14] Parse Error: dsafsdfdsafsdf[14:28:14] while parsing: Parse Error: [14:28:14] Parse Error: check for mistakes around position 209: 209: syntax error[14:28:14] while parsing: 209: 209: [14:28:14] SMILESdsafsdf:syntax errorSMILES Parse Error: check for mistakes around position 209: Parse Error: check for mistakes around position while parsing: Parse Error: SMILES while parsing: 209: dsafsdf[14:28:14] 209: dsafsdf[14:28:14] dsafsdf1[14:28:14] dsafsdf Parse Error: check for mistakes around position 209: SMILES[14:28:14] 209: 209: dsafsdfSMILES[14:28:14] syntax errordsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 209: [14:28:14] [14:28:14] SMILES1[14:28:14] Parse Error: check for mistakes around position :[14:28:14] 1dsafsdfSMILES:1dsafsdfdsafsdf Parse Error: check for mistakes around position [14:28:14] 209: 1[14:28:14] :1SMILES 209: SMILESSMILESSMILESdsafsdf Parse Error: ^ Parse Error: : 209: 209: 209: :[14:28:14] Parse Error: check for mistakes around position Parse Error: check for mistakes around position [14:28:14] ^1 209: [14:28:14] 209: : 209: syntax error 209: 1[14:28:14] dsafsdf Parse Error: SMILES 209: 209: [14:28:14] Parse Error: 1 209: Failed parsing SMILES 'dsafsdf'syntax error[14:28:14] :[14:28:14] SMILESdsafsdf for input: '[14:28:14] [14:28:14] [14:28:14] [14:28:14] [14:28:14] :dsafsdf while parsing: 209: 209: [14:28:14] 209: dsafsdfSMILES while parsing: 209: while parsing: 209: [14:28:14] dsafsdfdsafsdfsyntax error^[14:28:14] 209: ^ 209: dsafsdfSMILES 209: [14:28:14] [14:28:14] [14:28:14] Parse Error: Parse Error: Parse Error: check for mistakes around position while parsing: '[14:28:14] [14:28:14] syntax errordsafsdf 209: dsafsdf1SMILESSMILESSMILES[14:28:14] dsafsdf 209: syntax error^: while parsing: dsafsdf 209: [14:28:14] Parse Error: check for mistakes around position 209: [14:28:14] 209: ^[14:28:14] Parse Error: check for mistakes around position SMILES 209: [14:28:14] while parsing: 1^[14:28:14] [14:28:14] [14:28:14] 209: SMILES^SMILES[14:28:14] dsafsdf 209: 1SMILES Parse Error: check for mistakes around position 209: [14:28:14] SMILES[14:28:14] 1 209: 1: Parse Error: check for mistakes around position SMILES Parse Error: 209: 1dsafsdfdsafsdf:[14:28:14] 209: 209: ^[14:28:14] [14:28:14] ^ 209: dsafsdf Parse Error: check for mistakes around position : 209: Parse Error: check for mistakes around position : 209: 209: SMILES Parse Error: 209: 209: Parse Error: 209: 209: [14:28:14] Parse Error: check for mistakes around position 209: [14:28:14] 1Failed parsing SMILES 'dsafsdf'^ 209: [14:28:14] Failed parsing SMILES 'dsafsdf'dsafsdf for input: '[14:28:14] [14:28:14] [14:28:14] Parse Error: check for mistakes around position dsafsdf[14:28:14] SMILESSMILES 209: 1^: Parse Error: 1dsafsdfSMILES: 209: [14:28:14] [14:28:14] : 209: Failed parsing SMILES 'dsafsdf' 209: 209: [14:28:14] Parse Error: [14:28:14] for input: 'Failed parsing SMILES 'dsafsdf' 209: [14:28:14] ^SMILES 209: dsafsdf 209: SMILES1 Parse Error: check for mistakes around position for input: '[14:28:14] dsafsdfSMILES'[14:28:14] :SMILES[14:28:14] [14:28:14] Parse Error: check for mistakes around position dsafsdf Parse Error: Parse Error: check for mistakes around position [14:28:14] [14:28:14] SMILESdsafsdf 209: [14:28:14] Failed parsing SMILES 'dsafsdf'1 Parse Error: : 209: 209: [14:28:14] SMILES 209: Parse Error: 209: Parse Error: '^dsafsdf^[14:28:14] for input: 'SMILES[14:28:14] 209: [14:28:14] 1 209: [14:28:14] SMILES 209: for input: ':dsafsdf^Failed parsing SMILES 'dsafsdf':dsafsdfFailed parsing SMILES 'dsafsdf' 209: :[14:28:14] for input: 'SMILES[14:28:14] dsafsdfdsafsdf Parse Error: 209: dsafsdf 209: [14:28:14] syntax error 209: [14:28:14] ' while parsing: dsafsdfdsafsdf 209: 209: [14:28:14] ^ 209: 209: [14:28:14] ^ 209: 209: SMILES[14:28:14] Parse Error: Parse Error: dsafsdfsyntax error 209: [14:28:14] SMILES' 209: Failed parsing SMILES 'dsafsdf'SMILES^[14:28:14] [14:28:14] Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf' 209: 1 for input: ' 209: 209: Parse Error: [14:28:14] for input: ' while parsing: [14:28:14] dsafsdfSMILESFailed parsing SMILES 'dsafsdf'[14:28:14] ''[14:28:14] 209: 209: [14:28:14] Parse Error: SMILES[14:28:14] ^dsafsdf for input: '[14:28:14] 209: 'SMILESFailed parsing SMILES 'dsafsdf' for input: '[14:28:14] dsafsdf 209: Parse Error: [14:28:14] SMILES[14:28:14] for input: '[14:28:14] Parse Error: check for mistakes around position dsafsdfdsafsdf[14:28:14] dsafsdf^^ Parse Error: Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'1[14:28:14] SMILES:[14:28:14] 209: 209: 209: [14:28:14] Parse Error: 209: dsafsdf 209: 209: dsafsdfSMILESdsafsdf 209: SMILESSMILES[14:28:14] '[14:28:14] Parse Error: [14:28:14] 209: SMILESsyntax errordsafsdf 209: SMILESFailed parsing SMILES 'dsafsdf' for input: '[14:28:14] Failed parsing SMILES 'dsafsdf'' 209: SMILES Parse Error: ^ 209: [14:28:14] Parse Error: Parse Error: [14:28:14] ^'SMILES Parse Error: dsafsdf while parsing: [14:28:14] [14:28:14] ' for input: ' 209: 209: syntax errordsafsdf for input: 'dsafsdfSMILES 209: [14:28:14] ^ 209: 'Failed parsing SMILES 'dsafsdf' 209: [14:28:14] [14:28:14] Parse Error: [14:28:14] 209: for input: 'SMILES[14:28:14] Parse Error: check for mistakes around position :Failed parsing SMILES 'dsafsdf'dsafsdf Parse Error: Failed parsing SMILES 'dsafsdf' Parse Error: [14:28:14] SMILES 209: 209: SMILESFailed parsing SMILES 'dsafsdf'syntax errordsafsdf^ while parsing: Parse Error: 209: '[14:28:14] dsafsdf^[14:28:14] for input: ' 209: 1 Parse Error: for input: ' 209: Failed parsing SMILES 'dsafsdf'[14:28:14] Failed parsing SMILES 'dsafsdf' Parse Error: SMILESdsafsdfSMILES[14:28:14] dsafsdf 209: ' for input: ' for input: '[14:28:14] 209: [14:28:14] Failed parsing SMILES 'dsafsdf'SMILESSMILESsyntax error while parsing: 209: 209: dsafsdf for input: ' Parse Error: syntax error while parsing: dsafsdf 209: for input: '[14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[14:28:14] [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' Parse Error: check for mistakes around position dsafsdfdsafsdf''SMILES[14:28:14] 209: SMILES^Failed parsing SMILES 'dsafsdf': Parse Error: 209: while parsing: Failed parsing SMILES 'dsafsdf' for input: '[14:28:14] dsafsdfdsafsdf'' 209: Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position ^ for input: ' 209: Parse Error: [14:28:14] [14:28:14] SMILES for input: 'dsafsdfSMILES' Parse Error: 1dsafsdf' 209: dsafsdf' 209: 1: 209: [14:28:14] dsafsdf 209: syntax error while parsing: dsafsdfdsafsdf 209: 209: Parse Error: SMILES for input: '[14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: SMILES Parse Error: syntax error while parsing: dsafsdf 209: 209: ' 209: dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: Parse Error: 209: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf 209: 209: : 209: [14:28:14] dsafsdf[14:28:14] dsafsdfdsafsdf[14:28:14] Failed parsing SMILES 'dsafsdf'[14:28:14] SMILES Parse Error: check for mistakes around position dsafsdf 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: ' 209: [14:28:14] SMILES[14:28:14] [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: 209: for input: 'dsafsdf' 209: Parse Error: syntax error while parsing: dsafsdf 209: ' 209: [14:28:14] ' 209: 209: [14:28:14] ^ 209: Parse Error: [14:28:14] syntax error[14:28:14] while parsing: SMILES Parse Error: [14:28:14] SMILES Parse Error: check for mistakes around position 1:^ 209: SMILES Parse Error: syntax error while parsing: dsafsdfdsafsdf 209: [14:28:14] dsafsdf 209: [14:28:14] SMILES[14:28:14] SMILES 209: 209: SMILES 209: [14:28:14] SMILES Parse Error: check for mistakes around position [14:28:14] [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1[14:28:14] ^ 209: Parse Error: check for mistakes around position 1: 209: [14:28:14] SMILESSMILES Parse Error: check for mistakes around position 1[14:28:14] SMILES Parse Error: check for mistakes around position SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position [14:28:14] : 209: 1: 209: dsafsdf 209: Parse Error: syntax error while parsing: dsafsdf 209: Failed parsing SMILES 'dsafsdf' for input: '[14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: Parse Error: check for mistakes around position 1^ 209: [14:28:14] dsafsdf 209: [14:28:14] [14:28:14] SMILES: 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: 1:[14:28:14] 209: 209: Parse Error: [14:28:14] [14:28:14] [14:28:14] 11[14:28:14] [14:28:14] :SMILESdsafsdf[14:28:14] [14:28:14] dsafsdf[14:28:14] 209: 209: dsafsdf[14:28:14] dsafsdf 209: [14:28:14] SMILESSMILES[14:28:14] Parse Error: check for mistakes around position SMILESSMILES[14:28:14] 'SMILES Parse Error: check for mistakes around position dsafsdf1: Parse Error: Parse Error: 209: Parse Error: check for mistakes around position 209: Failed parsing SMILES 'dsafsdf' for input: ' 209: [14:28:14] [14:28:14] ^dsafsdf 209: Failed parsing SMILES 'dsafsdf'^[14:28:14] 209: : 209: 1dsafsdf 209: ^: 209: : 209: 1[14:28:14] for input: ':'^SMILES 209: 209: dsafsdf' 209: [14:28:14] [14:28:14] dsafsdf 209: [14:28:14] dsafsdf 209: [14:28:14] dsafsdf 209: [14:28:14] [14:28:14] dsafsdf Parse Error: 209: [14:28:14] Failed parsing SMILES 'dsafsdf'^^[14:28:14] 209: 209: Parse Error: check for mistakes around position [14:28:14] 209: [14:28:14] dsafsdf 209: [14:28:14] 209: 209: ^[14:28:14] [14:28:14] 209: [14:28:14] Failed parsing SMILES 'dsafsdf' for input: 'SMILES^ 209: SMILES for input: 'dsafsdf[14:28:14] ' Parse Error: Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf' 209: for input: '^^^dsafsdf'' 209: for input: '[14:28:14] 209: [14:28:14] SMILES[14:28:14] SMILESSMILESdsafsdf^ Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' Parse Error: Parse Error: 209: Failed parsing SMILES 'dsafsdf' for input: ' 209: [14:28:14] SMILES[14:28:14] SMILESSMILES Parse Error: Parse Error: SMILESFailed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf'' 209: Parse Error: 1 209: Failed parsing SMILES 'dsafsdf' for input: ' 209: dsafsdf for input: 'dsafsdf' 209: 209: :[14:28:14] 209: '[14:28:14] SMILESSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf 209: dsafsdfFailed parsing SMILES 'dsafsdf' for input: ''dsafsdf' 209: 209: for input: '' 209: dsafsdf' 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf1[14:28:14] 209: :SMILES 209: Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf[14:28:14] [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf[14:28:14] dsafsdf 209: SMILES Parse Error: check for mistakes around position [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf[14:28:14] ^ 209: [14:28:14] SMILES Parse Error: syntax error[14:28:14] 209: 1 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1:SMILES 209: 209: while parsing: dsafsdf[14:28:14] dsafsdf: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[14:28:14] SMILES 209: Parse Error: 209: 209: [14:28:14] [14:28:14] [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: SMILES Parse Error: syntax error while parsing: dsafsdf[14:28:14] syntax error 209: [14:28:14] ^ while parsing: [14:28:14] dsafsdf[14:28:14] SMILESSMILESSMILES Parse Error: syntax error[14:28:14] 209: [14:28:14] ^ 209: [14:28:14] SMILESSMILES Parse Error: check for mistakes around position [14:28:14] SMILES Parse Error: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf1 209: [14:28:14] SMILES Parse Error: check for mistakes around position while parsing: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf[14:28:14] SMILES 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: '1dsafsdfsyntax error Parse Error: check for mistakes around position while parsing: [14:28:14] ::'dsafsdf 209: 1[14:28:14] Parse Error: check for mistakes around position SMILES Parse Error: 1[14:28:14] 209: [14:28:14] dsafsdfSMILES 209: : 209: 209: SMILES 209: [14:28:14] [14:28:14] [14:28:14] SMILESSMILES[14:28:14] Parse Error: [14:28:14] [14:28:14] SMILES Parse Error: [14:28:14] SMILESFailed parsing SMILES 'dsafsdf' 209: dsafsdfFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: Parse Error: [14:28:14] Parse Error: check for mistakes around position [14:28:14] dsafsdfSMILESsyntax error[14:28:14] :SMILES Parse Error: [14:28:14] syntax error Parse Error: check for mistakes around position 209: [14:28:14] Parse Error: [14:28:14] [14:28:14] SMILES Parse Error: syntax error while parsing: SMILES Parse Error: check for mistakes around position while parsing: for input: 'syntax error[14:28:14] syntax errorSMILES[14:28:14] SMILES[14:28:14] SMILES Parse Error: SMILESsyntax errorSMILES 209: [14:28:14] SMILES[14:28:14] SMILES Parse Error: 1: while parsing: dsafsdf 209: 209: [14:28:14] while parsing: dsafsdfdsafsdf' 209: Parse Error: dsafsdf 209: SMILES Parse Error: syntax error while parsing: Parse Error: 1 Parse Error: while parsing: syntax error while parsing: dsafsdfdsafsdf[14:28:14] 209: SMILES Parse Error: [14:28:14] Parse Error: SMILES[14:28:14] SMILES while parsing: Parse Error: dsafsdf Parse Error: check for mistakes around position [14:28:14] SMILES[14:28:14] Parse Error: syntax error while parsing: dsafsdf 209: 209: [14:28:14] SMILESsyntax error Parse Error: check for mistakes around position dsafsdfSMILESsyntax error^1: 209: [14:28:14] dsafsdf 209: 209: [14:28:14] [14:28:14] 1[14:28:14] [14:28:14] dsafsdfSMILES 209: Parse Error: check for mistakes around position 209: [14:28:14] SMILES Parse Error: syntax errorsyntax error while parsing: while parsing: :syntax error 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: dsafsdf 209: [14:28:14] dsafsdfSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' while parsing: dsafsdf 209: SMILES 209: syntax error Parse Error: dsafsdfsyntax error while parsing: dsafsdf 209: [14:28:14] while parsing: SMILES 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^1 Parse Error: 209: Parse Error: check for mistakes around position dsafsdf while parsing: syntax error while parsing: 1:dsafsdf[14:28:14] ^ 209: SMILES 209: 209: SMILES Parse Error: :'SMILES 209: syntax error[14:28:14] Parse Error: check for mistakes around position 209: [14:28:14] SMILES[14:28:14] 1 209: dsafsdf 209: Parse Error: [14:28:14] ^^ 209: [14:28:14] : Parse Error: check for mistakes around position syntax error 209: dsafsdfdsafsdfdsafsdf Parse Error: check for mistakes around position [14:28:14] Parse Error: 209: ^ 209: : Parse Error: check for mistakes around position syntax error 209: [14:28:14] 209: [14:28:14] while parsing: 1[14:28:14] [14:28:14] 209: while parsing: dsafsdfSMILES[14:28:14] 1[14:28:14] [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] SMILES while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf[14:28:14] 209: [14:28:14] dsafsdf 209: [14:28:14] while parsing: [14:28:14] SMILES Parse Error: check for mistakes around position 1[14:28:14] SMILES:[14:28:14] 1 Parse Error: Parse Error: check for mistakes around position 209: syntax error1[14:28:14] [14:28:14] [14:28:14] dsafsdf 209: Failed parsing SMILES 'dsafsdf'[14:28:14] :SMILES^[14:28:14] SMILESSMILES Parse Error: check for mistakes around position 209: ^: 209: SMILES 209: Parse Error: check for mistakes around position [14:28:14] 209: Parse Error: [14:28:14] dsafsdfFailed parsing SMILES 'dsafsdf' 209: [14:28:14] ^dsafsdf for input: 'dsafsdf while parsing: dsafsdfSMILES Parse Error: 209: : 209: SMILES^: 209: dsafsdf 209: 209: SMILES 209: 1': 209: for input: '[14:28:14] dsafsdf[14:28:14] SMILES Parse Error: check for mistakes around position Parse Error: check for mistakes around position 'SMILES1 209: Parse Error: 209: [14:28:14] SMILES Parse Error: check for mistakes around position :dsafsdfdsafsdf 209: Parse Error: [14:28:14] Failed parsing SMILES 'dsafsdf' 209: 1[14:28:14] 209: 1[14:28:14] Parse Error: 209: [14:28:14] 209: 209: Failed parsing SMILES 'dsafsdf'[14:28:14] SMILES Parse Error: check for mistakes around position dsafsdfSMILESFailed parsing SMILES 'dsafsdf' for input: ' Parse Error: Parse Error: check for mistakes around position dsafsdf for input: ' 209: '1 209: :[14:28:14] [14:28:14] [14:28:14] ^[14:28:14] 209: dsafsdf 209: Failed parsing SMILES 'dsafsdf'[14:28:14] [14:28:14] 209: for input: 'dsafsdfFailed parsing SMILES 'dsafsdf'[14:28:14] dsafsdf 209: [14:28:14] dsafsdfSMILES1' 209: for input: ' 209: 209: SMILES: Parse Error: [14:28:14] Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: dsafsdf' 209: 1[14:28:14] SMILESdsafsdf 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[14:28:14] 209: [14:28:14] [14:28:14] ^ 209: [14:28:14] 209: dsafsdf[14:28:14] dsafsdf[14:28:14] SMILES Parse Error: [14:28:14] for input: '[14:28:14] SMILES Parse Error: check for mistakes around position ^^'dsafsdf 209: 209: syntax error 209: :^ 209: : while parsing: SMILES1^ Parse Error: ^ 209: dsafsdf 209: 209: Failed parsing SMILES 'dsafsdf'^[14:28:14] 209: : 209: [14:28:14] 'SMILES'[14:28:14] 209: [14:28:14] [14:28:14] 209: Parse Error: check for mistakes around position : 209: [14:28:14] Failed parsing SMILES 'dsafsdf'[14:28:14] dsafsdf for input: ' 209: SMILESSMILESSMILES Parse Error: SMILES^ 209: [14:28:14] 1 for input: 'dsafsdf 209: dsafsdf Parse Error: dsafsdf Parse Error: syntax error[14:28:14] [14:28:14] dsafsdf 209: [14:28:14] Failed parsing SMILES 'dsafsdf' 209: 209: 209: ^SMILESSMILES while parsing: Parse Error: [14:28:14] [14:28:14] dsafsdf[14:28:14] 209: [14:28:14] Parse Error: check for mistakes around position SMILESdsafsdf Parse Error: 209: 'Failed parsing SMILES 'dsafsdf'SMILES[14:28:14] [14:28:14] SMILES' 209: Parse Error: ^ for input: '[14:28:14] 209: 209: 209: for input: '[14:28:14] : 209: Failed parsing SMILES 'dsafsdf' Parse Error: ^syntax error[14:28:14] dsafsdfdsafsdf 209: while parsing: SMILES[14:28:14] 209: [14:28:14] dsafsdfFailed parsing SMILES 'dsafsdf'[14:28:14] for input: 'dsafsdf[14:28:14] 209: Parse Error: check for mistakes around position [14:28:14] dsafsdf Parse Error: SMILESdsafsdf^Failed parsing SMILES 'dsafsdf'SMILESdsafsdf1 209: dsafsdfSMILES 209: 209: [14:28:14] '[14:28:14] [14:28:14] Failed parsing SMILES 'dsafsdf'[14:28:14] '^ 209: 209: [14:28:14] : Parse Error: for input: '[14:28:14] Failed parsing SMILES 'dsafsdf'SMILESdsafsdf Parse Error: syntax error while parsing: for input: ' 209: ' for input: 'SMILES[14:28:14] for input: 'dsafsdf Parse Error: SMILES[14:28:14] 209: [14:28:14] SMILES[14:28:14] dsafsdfdsafsdf 209: 1^:dsafsdf^ 209: Failed parsing SMILES 'dsafsdf' Parse Error: 209: 209: [14:28:14] dsafsdf' for input: ''' 209: Parse Error: [14:28:14] [14:28:14] 209: 209: Failed parsing SMILES 'dsafsdf' 209: ^ Parse Error: 209: SMILES^ for input: ' 209: [14:28:14] dsafsdfFailed parsing SMILES 'dsafsdf''SMILESSMILESdsafsdf[14:28:14] 209: SMILES^ Parse Error: Parse Error: [14:28:14] syntax error 209: 'SMILESSMILES Parse Error: Parse Error: syntax error while parsing: 209: ' while parsing: 209: Parse Error: Failed parsing SMILES 'dsafsdf'[14:28:14] for input: 'Failed parsing SMILES 'dsafsdf'SMILES Parse Error: check for mistakes around position [14:28:14] dsafsdf 209: dsafsdf' 209: Failed parsing SMILES 'dsafsdf'1 209: [14:28:14] for input: ' for input: ' 209: [14:28:14] [14:28:14] for input: 'dsafsdfFailed parsing SMILES 'dsafsdf' Parse Error: :dsafsdf for input: 'SMILESSMILES Parse Error: syntax error while parsing: dsafsdf 209: Parse Error: dsafsdfSMILES 209: dsafsdfsyntax error 209: Failed parsing SMILES 'dsafsdf'dsafsdfSMILESdsafsdf' 209: '[14:28:14] 'SMILES Parse Error: 209: [14:28:14] for input: 'Failed parsing SMILES 'dsafsdf'[14:28:14] while parsing: SMILES Parse Error: check for mistakes around position 209: Parse Error: syntax error while parsing: dsafsdfdsafsdf' 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: SMILES[14:28:14] SMILES 209: for input: '[14:28:14] SMILESdsafsdf Parse Error: check for mistakes around position [14:28:14] dsafsdf 209: ' 209: Parse Error: Parse Error: [14:28:14] syntax errorFailed parsing SMILES 'dsafsdf' for input: ' while parsing: for input: 'dsafsdf'dsafsdf[14:28:14] '[14:28:14] dsafsdf1 209: :[14:28:14] SMILES 209: 209: 1':[14:28:14] 209: [14:28:14] [14:28:14] Parse Error: check for mistakes around position [14:28:14] SMILES 209: 209: dsafsdfdsafsdfSMILES 209: SMILES^ Parse Error: check for mistakes around position SMILES 209: Parse Error: Parse Error: check for mistakes around position 1[14:28:14] 1:: 209: 209: 209: Parse Error: syntax error[14:28:14] while parsing: dsafsdf1 Parse Error: :[14:28:14] Failed parsing SMILES 'dsafsdf'[14:28:14] for input: 'syntax errorSMILES[14:28:14] dsafsdf Parse Error: [14:28:14] SMILESSMILES^dsafsdf 209: [14:28:14] ^ 209: dsafsdf' 209: 209: 209: Parse Error: check for mistakes around position [14:28:14] 209: syntax error while parsing: [14:28:14] dsafsdf[14:28:14] dsafsdf 209: [14:28:14] ^ 209: ^ 209: [14:28:14] SMILES^ Parse Error: check for mistakes around position 1[14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' while parsing: dsafsdf 209: [14:28:14] Parse Error: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: 1: for input: ' 209: [14:28:14] SMILES Parse Error: syntax error[14:28:14] SMILES[14:28:14] : Parse Error: Failed parsing SMILES 'dsafsdf'[14:28:14] Failed parsing SMILES 'dsafsdf' while parsing: Parse Error: dsafsdf 209: 209: 209: SMILES[14:28:14] Parse Error: check for mistakes around position for input: 'Failed parsing SMILES 'dsafsdf'^dsafsdf 209: dsafsdf[14:28:14] SMILES 209: dsafsdf' 209: 'dsafsdf[14:28:14] 209: SMILES[14:28:14] 209: 209: for input: '[14:28:14] dsafsdf 209: [14:28:14] ^ 209: 209: [14:28:14] ^ 209: Parse Error: [14:28:14] SMILESFailed parsing SMILES 'dsafsdf'SMILES Parse Error: for input: '[14:28:14] dsafsdf' 209: SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: 1: 209: [14:28:14] Failed parsing SMILES 'dsafsdf' Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'SMILES Parse Error: dsafsdf[14:28:14] dsafsdf^ for input: 'dsafsdf''Failed parsing SMILES 'dsafsdf' Parse Error: Failed parsing SMILES 'dsafsdf' 209: 209: [14:28:14] dsafsdf' 209: [14:28:14] for input: 'SMILES 209: 209: for input: ' for input: ' Parse Error: check for mistakes around position 1:dsafsdf' 209: [14:28:14] dsafsdf' 209: dsafsdf 209: [14:28:14] ^SMILES 209: 209: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[14:28:14] dsafsdf^ for input: 'dsafsdf 209: 209: dsafsdf' 209: ' 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] SMILES Parse Error: syntax error while parsing: dsafsdf 209: [14:28:14] SMILES Parse Error: check for mistakes around position 1: 209: [14:28:14] dsafsdf 209: [14:28:14] ^ 209: [14:28:14] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 209: [14:28:14] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring... 209: =============================================================================== 209: All tests passed (36654 assertions in 15 test cases) 209: 205/272 Test #209: substructLibraryTest ................... Passed 4.55 sec test 213 Start 213: testRGroupDecompInternals 213: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals 213: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition 213: Test timeout computed to be: 7200 213: Randomness seeded to: 1260477829 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: [14:28:14] WARNING: not removing hydrogen atom with dummy atom neighbors 213: =============================================================================== 213: All tests passed (26 assertions in 3 test cases) 213: 206/272 Test #213: testRGroupDecompInternals .............. Passed 0.04 sec test 214 Start 214: rgroupCatchTests 214: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition/rgroupCatchTests 214: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition 214: Test timeout computed to be: 7200 157: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 212: Randomness seeded to: 3819596190 212: [14:28:15] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters 212: [14:28:15] WARNING: not removing hydrogen atom with dummy atom neighbors 211: ......[14:28:15] 211: 211: **** 211: Pre-condition Violation 211: RingInfo not initialized 211: Violation occurred on line 53 in file ./Code/GraphMol/RingInfo.cpp 211: Failed Expression: df_init 211: ---------- 211: Stacktrace: 211: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 211: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 211: 2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 211: 3# 0x00000000000B9320 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSmilesParse.so.1 211: 4# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSmilesParse.so.1 211: 5# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 211: 6# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 9# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 13# 0x000000000029A3B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 15# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 211: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 21# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 22# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 23# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 24# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 25# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 31# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 32# _PyObject_MakeTpCall in /usr/bin/python3 211: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 34# 0x00000000002AADF4 in /usr/bin/python3 211: 35# 0x00000000000AADF0 in /usr/bin/python3 211: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 37# 0x00000000002AADF4 in /usr/bin/python3 211: 38# 0x00000000000AC98C in /usr/bin/python3 211: 39# 0x000000000019A2B8 in /usr/bin/python3 211: 40# _PyObject_MakeTpCall in /usr/bin/python3 211: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 42# 0x00000000002AADF4 in /usr/bin/python3 211: 43# 0x00000000000AADF0 in /usr/bin/python3 211: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 45# 0x00000000002AADF4 in /usr/bin/python3 211: 46# 0x00000000000AC98C in /usr/bin/python3 211: 47# 0x000000000019A2B8 in /usr/bin/python3 211: 48# _PyObject_MakeTpCall in /usr/bin/python3 211: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 50# 0x00000000002AADF4 in /usr/bin/python3 211: 51# 0x00000000000AADF0 in /usr/bin/python3 211: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 53# 0x00000000002AADF4 in /usr/bin/python3 211: 54# 0x00000000000AC98C in /usr/bin/python3 211: 55# 0x000000000019A2B8 in /usr/bin/python3 211: 56# _PyObject_MakeTpCall in /usr/bin/python3 211: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 58# 0x00000000002AADF4 in /usr/bin/python3 211: 59# 0x00000000000AC98C in /usr/bin/python3 211: 60# 0x0000000000193854 in /usr/bin/python3 211: 61# 0x0000000000189714 in /usr/bin/python3 211: 62# _PyObject_MakeTpCall in /usr/bin/python3 211: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 64# PyEval_EvalCode in /usr/bin/python3 211: 65# 0x000000000033C338 in /usr/bin/python3 211: 66# 0x000000000033ECB8 in /usr/bin/python3 211: 67# 0x000000000033F214 in /usr/bin/python3 211: 68# 0x000000000037E5E8 in /usr/bin/python3 211: 69# Py_BytesMain in /usr/bin/python3 211: 70# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 71# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 72# _start in /usr/bin/python3 211: ---------- 211: **** 211: 211: [14:28:15] 211: 211: **** 211: Pre-condition Violation 211: RingInfo not initialized 211: Violation occurred on line 130 in file ./Code/GraphMol/RingInfo.cpp 211: Failed Expression: df_init 211: ---------- 211: Stacktrace: 211: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 211: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 211: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 211: 3# 0x00000000000E7274 in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 211: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 211: 5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 6# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 7# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 8# bool boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll, std::allocator > >, std::allocator, std::allocator > > > > >(unsigned int*, unsigned int*, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 9# bool boost::vf2_all, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector, std::allocator > >, std::allocator, std::allocator > > > > >(boost::adjacency_list const&, boost::adjacency_list const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector, std::allocator > >, std::allocator, std::allocator > > > >&, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSubstructMatch.so.1 211: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 13# 0x000000000029A3B8 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 15# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 211: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 211: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 21# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 22# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 23# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 24# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 25# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 211: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 28# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 29# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 211: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 31# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 211: 32# _PyObject_MakeTpCall in /usr/bin/python3 211: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 34# 0x00000000002AADF4 in /usr/bin/python3 211: 35# 0x00000000000AADF0 in /usr/bin/python3 211: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 37# 0x00000000002AADF4 in /usr/bin/python3 211: 38# 0x00000000000AC98C in /usr/bin/python3 211: 39# 0x000000000019A2B8 in /usr/bin/python3 211: 40# _PyObject_MakeTpCall in /usr/bin/python3 211: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 42# 0x00000000002AADF4 in /usr/bin/python3 211: 43# 0x00000000000AADF0 in /usr/bin/python3 211: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 45# 0x00000000002AADF4 in /usr/bin/python3 211: 46# 0x00000000000AC98C in /usr/bin/python3 211: 47# 0x000000000019A2B8 in /usr/bin/python3 211: 48# _PyObject_MakeTpCall in /usr/bin/python3 211: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 50# 0x00000000002AADF4 in /usr/bin/python3 211: 51# 0x00000000000AADF0 in /usr/bin/python3 211: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 53# 0x00000000002AADF4 in /usr/bin/python3 211: 54# 0x00000000000AC98C in /usr/bin/python3 211: 55# 0x000000000019A2B8 in /usr/bin/python3 211: 56# _PyObject_MakeTpCall in /usr/bin/python3 211: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 58# 0x00000000002AADF4 in /usr/bin/python3 211: 59# 0x00000000000AC98C in /usr/bin/python3 211: 60# 0x0000000000193854 in /usr/bin/python3 211: 61# 0x0000000000189714 in /usr/bin/python3 211: 62# _PyObject_MakeTpCall in /usr/bin/python3 211: 63# _PyEval_EvalFrameDefault in /usr/bin/python3 211: 64# PyEval_EvalCode in /usr/bin/python3 211: 65# 0x000000000033C338 in /usr/bin/python3 211: 66# 0x000000000033ECB8 in /usr/bin/python3 211: 67# 0x000000000033F214 in /usr/bin/python3 211: 68# 0x000000000037E5E8 in /usr/bin/python3 211: 69# Py_BytesMain in /usr/bin/python3 211: 70# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 71# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 211: 72# _start in /usr/bin/python3 211: ---------- 211: **** 211: 214: Randomness seeded to: 341395385 214: =============================================================================== 214: All tests passed (1504 assertions in 16 test cases) 214: 207/272 Test #214: rgroupCatchTests ....................... Passed 0.46 sec test 215 Start 215: pyRGroupDecomposition 215: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py" 215: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/RGroupDecomposition/Wrap 215: Test timeout computed to be: 7200 157: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 157: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 215: ..................... 215: ---------------------------------------------------------------------- 215: Ran 21 tests in 1.581s 215: 215: OK 208/272 Test #215: pyRGroupDecomposition .................. Passed 1.86 sec test 216 Start 216: determineBondsCatchTest 216: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds/determineBondsCatchTest 216: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds 216: Test timeout computed to be: 7200 216: Randomness seeded to: 4055114159 216: [14:28:17] Interrupted, cancelling determine Bond Orders 216: =============================================================================== 216: All tests passed (5192 assertions in 12 test cases) 216: 209/272 Test #216: determineBondsCatchTest ................ Passed 0.45 sec test 217 Start 217: pyDetermineBonds 217: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/DetermineBonds/Wrap/testDetermineBonds.py" 217: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/DetermineBonds/Wrap 217: Test timeout computed to be: 7200 211: ............... 211: ---------------------------------------------------------------------- 211: Ran 21 tests in 5.245s 211: 211: OK 211: Testing atom rings 211: testing bond rings 211: searching atom rings 211: searching bond rings 211: done 210/272 Test #211: pySubstructLibrary ..................... Passed 5.63 sec test 218 Start 218: molInterchangeTest1 218: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange/molInterchangeTest1 218: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange 218: Test timeout computed to be: 7200 218: [14:28:17] test1: basics 218: [14:28:17] done 218: [14:28:17] test2: basic writing 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"bo":2,"atoms":[1,2]},{"atoms":[2,3]},{"bo":2,"atoms":[3,4]},{"atoms":[4,5]},{"bo":2,"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"atomRings":[[0,1,2,3,4,5]]}]}]} 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"atomRings":[[2,3,5,6,8,9]]}]}]} 218: [14:28:17] done 218: [14:28:17] test3: writing conformers 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988E0,-4.52E-2],[-3.332E-1,4.556E-1],[1.66E-1,1.322E0],[5.332E-1,-4.38E-2],[-2.0652E0,4.542E-1],[-8.34E-1,1.3212E0]]},{"dim":3,"coords":[[9.554E-1,-3.743E-1,-4.679E-1],[-3.616E-1,-1.311E-1,-7.95E-2],[-5.097E-1,1.6256E0,1.706E-1],[-5.779E-1,-7.92E-1,1.1042E0],[1.5277E0,1.064E-1,1.628E-1],[-1.0339E0,-4.346E-1,-8.902E-1]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.09.1","values":[-3.52E-1,2.73E-1,-5.5E-2,-1.98E-1,2.15E-1,1.17E-1]}]}]} 218: [14:28:17] done 218: [14:28:17] test4: writing properties 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2E0},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"}]}]} 218: [14:28:17] done 218: [14:28:17] test5: writing partial charges 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1"},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.09.1","values":[5E-1,-5E-1]}]}]} 218: [14:28:17] testing parse options 218: [14:28:17] done 218: [14:28:17] testing github #2046: CIPRank values from JSONDataToMols are not unsigned 218: {"rdkitjson":{"version":12},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2026.09.1","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]} 218: [14:28:17] done 218: [14:28:17] testing 'either' stereochemistry 218: [14:28:17] done 211/272 Test #218: molInterchangeTest1 .................... Passed 0.03 sec test 219 Start 219: molInterchangeCatchTest 219: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange/molInterchangeCatchTest 219: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange 219: Test timeout computed to be: 7200 219: Randomness seeded to: 2880646900 219: [14:28:17] unrecognized bond type set to zero while writing 219: [14:28:17] unrecognized bond type 219: set to zero while writing 219: [14:28:17] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: [14:28:17] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: [14:28:17] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 219: =============================================================================== 219: All tests passed (147 assertions in 8 test cases) 219: 212/272 Test #219: molInterchangeCatchTest ................ Passed 0.04 sec test 220 Start 220: pyMolInterchange 220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py" 220: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInterchange/Wrap 220: Test timeout computed to be: 7200 217: .s... 217: ---------------------------------------------------------------------- 217: Ran 5 tests in 0.056s 217: 217: OK (skipped=1) 213/272 Test #217: pyDetermineBonds ....................... Passed 0.25 sec test 221 Start 221: testSLNParse 221: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse/testSLNParse 221: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse 221: Test timeout computed to be: 7200 221: Atoms: 221: 0 6 C chg: 1 deg: 5 exp: N/A imp: 0 hyb: 221: 1 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 2 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 3 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 4 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: 5 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 221: Bonds: 221: 0 0->1 order: 1 221: 1 0->2 order: 1 221: 2 0->3 order: 1 221: 3 0->4 order: 1 221: 4 0->5 order: 1 221: [14:28:17] SLN Parse Error: syntax error while parsing: CH4[I=13] 221: [14:28:17] Failed parsing SLN 'CH4[I=13]' 221: [14:28:17] SLN Parser error: Atom ID 1 appears *after* its ring closure. 221: [14:28:17] SLN Parser error: Ring closure 1 does not have a corresponding opener. 221: [14:28:17] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 221: [14:28:17] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)' 221: [14:28:17] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 221: [14:28:17] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)' 221: [14:28:17] SLN Parse Error: syntax error while parsing: CH4 fff 221: [14:28:17] Failed parsing SLN 'CH4 fff' 221: [14:28:17] SLN Parse Error: syntax error while parsing: C[charge=+1] foo 221: [14:28:17] Failed parsing SLN 'C[charge=+1] foo' 221: [14:28:17] Query property 'is' ignored on non-query atom 221: [14:28:17] Query property 'is' ignored on non-query atom 214/272 Test #221: testSLNParse ........................... Passed 0.04 sec test 222 Start 222: pySLNParse 222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/SLNParse/Wrap/testSLN.py" 222: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/SLNParse/Wrap 222: Test timeout computed to be: 7200 220: .. 220: ---------------------------------------------------------------------- 220: Ran 2 tests in 0.010s 220: 220: OK 215/272 Test #220: pyMolInterchange ....................... Passed 0.20 sec test 223 Start 223: pyGraphMolWrap 223: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/rough_test.py" 223: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 223: Test timeout computed to be: 7200 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.009s 222: 222: OK 216/272 Test #222: pySLNParse ............................. Passed 0.20 sec test 224 Start 224: pyTestGetPropDefault 224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testGetPropDefault.py" 224: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 224: Test timeout computed to be: 7200 224: ============================= test session starts ============================== 224: platform linux -- Python 3.14.10, pytest-9.1.1, pluggy-1.6.0 224: rootdir: /build/reproducible-path/rdkit-202609.1 224: collected 42 items 224: 224: ../../../../Code/GraphMol/Wrap/testGetPropDefault.py ................... [ 45%] 224: ....................... [100%] 224: 224: ============================== 42 passed in 0.17s ============================== 217/272 Test #224: pyTestGetPropDefault ................... Passed 0.68 sec test 225 Start 225: pyTestConformerWrap 225: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testConformer.py" 225: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 225: Test timeout computed to be: 7200 223: ..............[14:28:18] SMARTS Parse Error: syntax error while parsing: fiib 223: [14:28:18] SMARTS Parse Error: check for mistakes around position 1: 223: [14:28:18] fiib 223: [14:28:18] ^ 223: [14:28:18] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib' 223: ....[14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] Spurious data before the first property will be ignored 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] Spurious data before the first property will be ignored 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] Property will be truncated after the first blank line 223: [14:28:18] ERROR: Problems encountered parsing data fields 223: [14:28:18] ERROR: moving to the beginning of the next molecule 223: [14:28:18] Property will be truncated after the first blank line 223: .[14:28:18] SMILES Parse Error: syntax error while parsing: fail 223: [14:28:18] SMILES Parse Error: check for mistakes around position 1: 223: [14:28:18] fail 223: [14:28:18] ^ 223: [14:28:18] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 223: [14:28:18] ERROR: Smiles parse error on line 2 223: [14:28:18] ERROR: Cannot create molecule from : 'fail' 223: >>> This may result in an infinite loop. It should finish almost instantly 223: <<< OK, it finished. 223: ............[14:28:18] Explicit valence for atom # 1 C, 5, is greater than permitted 223: .../usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmp1l0_sgb_.sdf'>> 223: _warnings.warn(self.warn_message, ResourceWarning) 223: ...[14:28:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:28:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:28:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: [14:28:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 223: .........[14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 12 < 6 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 4# 0x00000000002BB5CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] non-ring atom 0 marked aromatic 223: [14:28:18] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 12 < 6 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 4# 0x00000000002BB5CC in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ...............[14:28:18] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 223: [14:28:18] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 157: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 223: ..............[14:28:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: [14:28:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: [14:28:19] Explicit valence for atom # 1 C, 5, is greater than permitted 225: ...... 225: ---------------------------------------------------------------------- 225: Ran 6 tests in 0.120s 225: 225: OK 218/272 Test #225: pyTestConformerWrap .................... Passed 0.35 sec test 226 Start 226: pyTestTrajectory 226: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testTrajectory.py" 226: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 226: Test timeout computed to be: 7200 157: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 226: [14:28:19] 226: 226: **** 226: Pre-condition Violation 226: from must be < size() 226: Violation occurred on line 95 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: from < static_cast(size()) 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:28:19] 226: 226: **** 226: Pre-condition Violation 226: from must be < size() 226: Violation occurred on line 95 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: from < static_cast(size()) 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 223: ............................[14:28:19] unable to set wavy bonds for double bonds: 3 223: ..............[14:28:19] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 6 < 5 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 226: .[14:28:19] 226: 226: **** 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 0 < 0 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:28:19] 226: 226: **** 226: Pre-condition Violation 226: The trajectory must have dimension == 3 226: Violation occurred on line 117 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: traj.dimension() == 3 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::readAmberTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl, std::allocator > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: ..[14:28:19] 226: 226: **** 226: Pre-condition Violation 226: The trajectory must have dimension == 3 226: Violation occurred on line 158 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: traj.dimension() == 3 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::readGromosTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl, std::allocator > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:28:19] 226: 226: **** 226: Pre-condition Violation 226: d_pos must not be NULL 226: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_pos 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:28:19] 226: 226: **** 226: Pre-condition Violation 226: d_trajectory must not be NULL 226: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:28:19] 226: 226: **** 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 5 < 5 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:28:19] 226: 226: **** 226: Range Error 226: pointNum 226: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 10 < 10 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: .[14:28:19] 226: 226: **** 226: Range Error 226: snapshotNum 226: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: 5 < 5 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 23# _PyObject_MakeTpCall in /usr/bin/python3 226: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 25# 0x00000000002AADF4 in /usr/bin/python3 226: 26# 0x00000000000AADF0 in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000002AADF4 in /usr/bin/python3 226: 29# 0x00000000000AC98C in /usr/bin/python3 226: 30# 0x000000000019A2B8 in /usr/bin/python3 226: 31# _PyObject_MakeTpCall in /usr/bin/python3 226: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 33# 0x00000000002AADF4 in /usr/bin/python3 226: 34# 0x00000000000AADF0 in /usr/bin/python3 226: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 36# 0x00000000002AADF4 in /usr/bin/python3 226: 37# 0x00000000000AC98C in /usr/bin/python3 226: 38# 0x000000000019A2B8 in /usr/bin/python3 226: 39# _PyObject_MakeTpCall in /usr/bin/python3 226: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 41# 0x00000000002AADF4 in /usr/bin/python3 226: 42# 0x00000000000AADF0 in /usr/bin/python3 226: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 44# 0x00000000002AADF4 in /usr/bin/python3 226: 45# 0x00000000000AC98C in /usr/bin/python3 226: 46# 0x000000000019A2B8 in /usr/bin/python3 226: 47# _PyObject_MakeTpCall in /usr/bin/python3 226: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 49# 0x00000000002AADF4 in /usr/bin/python3 226: 50# 0x00000000000AC98C in /usr/bin/python3 226: 51# 0x0000000000193854 in /usr/bin/python3 226: 52# 0x0000000000189714 in /usr/bin/python3 226: 53# _PyObject_MakeTpCall in /usr/bin/python3 226: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 55# PyEval_EvalCode in /usr/bin/python3 226: 56# 0x000000000033C338 in /usr/bin/python3 226: 57# 0x000000000033ECB8 in /usr/bin/python3 226: 58# 0x000000000033F214 in /usr/bin/python3 226: 59# 0x000000000037E5E8 in /usr/bin/python3 226: 60# Py_BytesMain in /usr/bin/python3 226: 61# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 63# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:28:19] 226: 226: **** 226: Pre-condition Violation 226: d_dimension must be == 2 226: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory->dimension() == 2 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: [14:28:19] 226: 226: **** 226: Pre-condition Violation 226: d_dimension must be == 2 226: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 226: Failed Expression: d_trajectory->dimension() == 2 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 226: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitTrajectory.so.1 226: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so 226: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 226: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 226: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 11# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 12# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 13# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 14# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 15# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 226: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 19# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 226: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 21# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 226: 22# _PyObject_MakeTpCall in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# 0x00000000002AADF4 in /usr/bin/python3 226: 25# 0x00000000000AADF0 in /usr/bin/python3 226: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 27# 0x00000000002AADF4 in /usr/bin/python3 226: 28# 0x00000000000AC98C in /usr/bin/python3 226: 29# 0x000000000019A2B8 in /usr/bin/python3 226: 30# _PyObject_MakeTpCall in /usr/bin/python3 226: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 32# 0x00000000002AADF4 in /usr/bin/python3 226: 33# 0x00000000000AADF0 in /usr/bin/python3 226: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 35# 0x00000000002AADF4 in /usr/bin/python3 226: 36# 0x00000000000AC98C in /usr/bin/python3 226: 37# 0x000000000019A2B8 in /usr/bin/python3 226: 38# _PyObject_MakeTpCall in /usr/bin/python3 226: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 40# 0x00000000002AADF4 in /usr/bin/python3 226: 41# 0x00000000000AADF0 in /usr/bin/python3 226: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 43# 0x00000000002AADF4 in /usr/bin/python3 226: 44# 0x00000000000AC98C in /usr/bin/python3 226: 45# 0x000000000019A2B8 in /usr/bin/python3 226: 46# _PyObject_MakeTpCall in /usr/bin/python3 226: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 48# 0x00000000002AADF4 in /usr/bin/python3 226: 49# 0x00000000000AC98C in /usr/bin/python3 226: 50# 0x0000000000193854 in /usr/bin/python3 226: 51# 0x0000000000189714 in /usr/bin/python3 226: 52# _PyObject_MakeTpCall in /usr/bin/python3 226: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 54# PyEval_EvalCode in /usr/bin/python3 226: 55# 0x000000000033C338 in /usr/bin/python3 226: 56# 0x000000000033ECB8 in /usr/bin/python3 226: 57# 0x000000000033F214 in /usr/bin/python3 226: 58# 0x000000000037E5E8 in /usr/bin/python3 226: 59# Py_BytesMain in /usr/bin/python3 226: 60# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 61# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 226: 62# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: . 226: ---------------------------------------------------------------------- 226: Ran 9 tests in 0.579s 226: 226: OK 226: Testing Trajectory wrapper 219/272 Test #226: pyTestTrajectory ....................... Passed 0.81 sec test 227 Start 227: pyTestSGroups 227: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSGroups.py" 227: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 227: Test timeout computed to be: 7200 199: Randomness seeded to: 1216002688 199: =============================================================================== 199: All tests passed (90 assertions in 16 test cases) 199: 220/272 Test #199: testEnumerateStereoisomers ............. Passed 27.05 sec test 228 Start 228: pyTestSCSR 228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSCSR.py" 228: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 228: Test timeout computed to be: 7200 227: ............. 227: ---------------------------------------------------------------------- 227: Ran 13 tests in 0.022s 227: 227: OK 227: Testing SubstanceGroups wrapper 221/272 Test #227: pyTestSGroups .......................... Passed 0.25 sec test 229 Start 229: pySubstructureMatch 229: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testSubstructureMatch.py" 229: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 229: Test timeout computed to be: 7200 228: ... 228: ---------------------------------------------------------------------- 228: Ran 3 tests in 0.024s 228: 228: OK 222/272 Test #228: pyTestSCSR ............................. Passed 0.25 sec test 230 Start 230: pyTestThreads 230: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testThreads.py" 230: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 230: Test timeout computed to be: 7200 212: [14:28:20] Relabelling existing label 229: ... 229: ---------------------------------------------------------------------- 229: Ran 3 tests in 0.009s 229: 229: OK 223/272 Test #229: pySubstructureMatch .................... Passed 0.23 sec test 231 Start 231: pyTestMultithreadedMolSupplier 231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py" 231: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 231: Test timeout computed to be: 7200 157: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 223: ......................[14:28:20] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:20] Explicit valence for atom # 6 F, 2, is greater than permitted 223: [14:28:20] Can't kekulize mol. Unkekulized atoms: 3 4 5 223: [14:28:20] Can't kekulize mol. Unkekulized atoms: 3 4 5 231: .s... 231: ---------------------------------------------------------------------- 231: Ran 5 tests in 0.103s 231: 231: OK (skipped=1) 223: ..smi: CC1=C(n2cccc2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:8.9,2.11,a:2,&1:8| 223: CC/C=C/C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: CC/C=C\C(/C=C\CC)=C(CC)CO 223: CC/C=C/C(/C=C/CC)=C(CC)CO 223: 2 STEREOE 223: 5 STEREOE 223: CC/C=C\C(/C=C/CC)=C(CC)CO 223: 2 STEREOZ 223: 5 STEREOE 223: 8 STEREOANY 223: CC/C=C\C(/C=C\CC)=C(CC)CO 223: 2 STEREOZ 223: 5 STEREOZ 224/272 Test #231: pyTestMultithreadedMolSupplier ......... Passed 0.34 sec test 232 Start 232: pyTestPropertyLists 232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/testPropertyLists.py" 232: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 232: Test timeout computed to be: 7200 157: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 212: =============================================================================== 212: All tests passed (931 assertions in 53 test cases) 212: 225/272 Test #212: testRGroupDecomp ....................... Passed 6.61 sec test 233 Start 233: pyCDXMLTest 233: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_cdxml.py" 233: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 233: Test timeout computed to be: 7200 157: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 232: ..... 232: ---------------------------------------------------------------------- 232: Ran 5 tests in 0.011s 232: 232: OK 226/272 Test #232: pyTestPropertyLists .................... Passed 0.24 sec test 234 Start 234: pySubsetTest 234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_subset.py" 234: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 234: Test timeout computed to be: 7200 233: .......... 233: ---------------------------------------------------------------------- 233: Ran 10 tests in 0.022s 233: 233: OK 227/272 Test #233: pyCDXMLTest ............................ Passed 0.25 sec test 235 Start 235: pyTestLazyNumpy 235: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_lazy_numpy.py" 235: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 235: Test timeout computed to be: 7200 234: . 234: ---------------------------------------------------------------------- 234: Ran 1 test in 0.011s 234: 234: OK 228/272 Test #234: pySubsetTest ........................... Passed 0.24 sec test 236 Start 236: pySubstructTest 236: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Wrap/test_substruct.py" 236: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Wrap 236: Test timeout computed to be: 7200 236: . 236: ---------------------------------------------------------------------- 236: Ran 1 test in 0.009s 236: 236: OK 229/272 Test #236: pySubstructTest ........................ Passed 0.24 sec test 237 Start 237: molStandardizeTest 237: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molStandardizeTest 237: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 237: Test timeout computed to be: 7200 230/272 Test #230: pyTestThreads .......................... Passed 1.29 sec test 238 Start 238: molNormalizeTest 238: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molNormalizeTest 238: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 238: Test timeout computed to be: 7200 238: [14:28:21] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 238: [14:28:21] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 238: [14:28:21] Initializing Normalizer 238: [14:28:21] Running Normalizer 238: [14:28:21] Rule applied: BrokenazidetoN=N+=N- 238: [14:28:21] Initializing Normalizer 238: [14:28:21] Running Normalizer 238: [14:28:21] Initializing Normalizer 238: [14:28:21] Running Normalizer 231/272 Test #238: molNormalizeTest ....................... Passed 0.14 sec test 239 Start 239: molValidateTest 239: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molValidateTest 239: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 239: Test timeout computed to be: 7200 239: ERROR: [FeaturesValidation] Query atom 0 is not allowed 239: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed 239: ERROR: [FeaturesValidation] Query bond 0 is not allowed 239: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed 239: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed 239: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed 239: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed 239: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed 239: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds. 239: here 239: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order. 239: there 239: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents. 232/272 Test #239: molValidateTest ........................ Passed 0.06 sec test 240 Start 240: molChargeTest 240: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molChargeTest 240: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 240: Test timeout computed to be: 7200 233/272 Test #240: molChargeTest .......................... Passed 0.09 sec test 241 Start 241: molTautomerTest 241: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molTautomerTest 241: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 241: Test timeout computed to be: 7200 157: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 241: [14:28:22] Tautomer enumeration stopped at 295 tautomers: max transforms reached 234/272 Test #237: molStandardizeTest ..................... Passed 0.99 sec test 242 Start 242: molStandardizeSmallTest 242: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molStandardizeSmallTest 242: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 242: Test timeout computed to be: 7200 235/272 Test #242: molStandardizeSmallTest ................ Passed 0.05 sec test 243 Start 243: molFragmentTest 243: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molFragmentTest 243: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 243: Test timeout computed to be: 7200 243: [14:28:22] SMARTS Parse Error: syntax error while parsing: [Cl 243: [14:28:22] SMARTS Parse Error: check for mistakes around position 3: 243: [14:28:22] [Cl 243: [14:28:22] ~~^ 243: [14:28:22] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl' 236/272 Test #243: molFragmentTest ........................ Passed 0.07 sec test 244 Start 244: molStandardizeCatchTest 244: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molStandardizeCatchTest 244: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 244: Test timeout computed to be: 7200 241: [14:28:22] Tautomer enumeration stopped at 295 tautomers: max transforms reached 241: [14:28:22] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 244: Randomness seeded to: 3103370522 244: * - * - * - * m1 244: * - * - * - * m2 244: * - * - * - * m1 244: * - * - * - * m2 244: [14:28:22] Can't kekulize mol. Unkekulized atoms: 3 7 244: [14:28:22] Can't kekulize mol. Unkekulized atoms: 3 8 244: [14:28:22] Can't kekulize mol. Unkekulized atoms: 2 3 4 241: [14:28:22] Tautomer enumeration stopped at 87 tautomers: canceled 241: Enumeration was canceled due to timeout (50 ms) 235: ....... 235: ---------------------------------------------------------------------- 235: Ran 7 tests in 1.860s 235: 235: OK 237/272 Test #235: pyTestLazyNumpy ........................ Passed 1.99 sec test 245 Start 245: molStandardizePipelineTest 245: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molStandardizePipelineTest 245: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 245: Test timeout computed to be: 7200 245: Randomness seeded to: 4187470952 245: 1 Counts line too short: '' on line4 245: 1 Could not instantiate a valid molecule from input 245: 8 Molecule has no atoms 245: [14:28:23] Explicit valence for atom # 1 N, 4, is greater than permitted 245: [14:28:23] Explicit valence for atom # 1 N, 4, is greater than permitted 245: 8 Explicit valence for atom # 1 N, 4, is greater than permitted 245: 128 An error occurred while preparing the molecule for standardization. 245: 8 The molecule contains an unknown isotope: 3C 245: 4 Query atom 0 is not allowed 245: 4 Bond 0 of aromatic type is not allowed 245: 4 Bond 1 of aromatic type is not allowed 245: 4 Bond 2 of aromatic type is not allowed 245: 4 Bond 3 of aromatic type is not allowed 245: 4 Bond 5 of aromatic type is not allowed 245: 4 Bond 6 of aromatic type is not allowed 245: 4 Bond 2 of dative type is not allowed 245: 4 Bond 3 of dative type is not allowed 245: 4 Enhanced stereochemistry features are not allowed 245: 8 The radical at atom 0 is not allowed 245: [14:28:23] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 245: 16 The molecule includes non-null Z coordinates 245: 32 Atom 0 too close to bond 2 245: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit 245: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds 245: 64 Atom 0 has adjacent stereo bonds with like orientation 245: [14:28:23] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 245: 16 The molecule includes non-null Z coordinates 245: 64 Atom 0 has adjacent stereo bonds with like orientation 245: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 16777216 The representation of some functional groups was adjusted. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 8388608 One or more metal atoms were disconnected. 245: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 245: 67108864 The protonation state was adjusted. 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 2 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 3 was removed 245: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 2 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 245: 16777216 The "wavy" style of bond 1 was removed 245: 16777216 The "wavy" style of bond 4 was removed 245: 16777216 The "wavy" style of bond 3 was removed 245: 16777216 The representation of some functional groups was adjusted. 245: [14:28:23] Can't kekulize mol. Unkekulized atoms: 2 3 5 245: [14:28:23] Can't kekulize mol. Unkekulized atoms: 2 3 5 245: =============================================================================== 245: All tests passed (318 assertions in 5 test cases) 245: 238/272 Test #245: molStandardizePipelineTest ............. Passed 0.22 sec test 246 Start 246: molStandardizeTautomerCatch 246: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/molStandardizeTautomerCatch 246: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize 246: Test timeout computed to be: 7200 246: Randomness seeded to: 2296036926 246: =============================================================================== 246: All tests passed (14 assertions in 1 test case) 246: 239/272 Test #246: molStandardizeTautomerCatch ............ Passed 0.05 sec test 247 Start 247: pyMolStandardize 247: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py" 247: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolStandardize/Wrap 247: Test timeout computed to be: 7200 223: ..................[14:28:23] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 157: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 241: 375 241: Enumeration has completed 241: [14:28:23] Tautomer enumeration stopped at 88 tautomers: canceled 157: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 157: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 247: ......[14:28:24] Tautomer enumeration stopped at 295 tautomers: max transforms reached 241: CN=c1cc[nH]cn1 241: CN=c1ccnc[nH]1 241: CNc1ccncn1 241: res: CNc1ccncn1 241: CN=c1cccc[nH]1 241: CNc1ccccn1 241: res: CNc1ccccn1 247: [14:28:24] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 240/272 Test #241: molTautomerTest ........................ Passed 2.58 sec test 248 Start 248: testScaffoldNetwork 248: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork 248: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ScaffoldNetwork 248: Test timeout computed to be: 7200 247: .[14:28:24] Tautomer enumeration stopped at 85 tautomers: canceled 247: Enumeration was canceled due to timeout (50 ms) 247: Enumeration has completed 247: [14:28:25] Tautomer enumeration stopped at 85 tautomers: canceled 248: Randomness seeded to: 41225843 248: =============================================================================== 248: All tests passed (273 assertions in 19 test cases) 248: 241/272 Test #248: testScaffoldNetwork .................... Passed 1.13 sec test 249 Start 249: pyScaffoldNetwork 249: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py" 249: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ScaffoldNetwork/Wrap 249: Test timeout computed to be: 7200 157: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 247: ..........[14:28:25] Explicit valence for atom # 1 N, 4, is greater than permitted 247: [14:28:25] Explicit valence for atom # 1 N, 4, is greater than permitted 247: [14:28:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 247: [14:28:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 249: ....... 249: ---------------------------------------------------------------------- 249: Ran 7 tests in 0.039s 249: 249: OK 242/272 Test #249: pyScaffoldNetwork ...................... Passed 0.28 sec test 250 Start 250: pyScaffoldNetworkPickling 250: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py" 250: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/ScaffoldNetwork/Wrap 250: Test timeout computed to be: 7200 250: . 250: ---------------------------------------------------------------------- 250: Ran 1 test in 0.014s 250: 250: OK 243/272 Test #250: pyScaffoldNetworkPickling .............. Passed 0.26 sec test 251 Start 251: testMolEnumerator 251: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator/testMolEnumerator 251: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator 251: Test timeout computed to be: 7200 251: Randomness seeded to: 2198828835 251: [14:28:26] can only enumerate SRUs with CONNECT=HT or CONNECT=HH 251: =============================================================================== 251: All tests passed (321 assertions in 16 test cases) 251: 244/272 Test #251: testMolEnumerator ...................... Passed 0.09 sec test 252 Start 252: pyMolEnumerator 252: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolEnumerator/Wrap/rough_test.py" 252: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolEnumerator/Wrap 252: Test timeout computed to be: 7200 252: ... 252: ---------------------------------------------------------------------- 252: Ran 3 tests in 0.013s 252: 252: OK 245/272 Test #252: pyMolEnumerator ........................ Passed 0.25 sec test 253 Start 253: testAbbreviations 253: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations/testAbbreviations 253: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations 253: Test timeout computed to be: 7200 253: Randomness seeded to: 582361835 253: [14:28:26] SMARTS Parse Error: syntax error while parsing: *fail 253: [14:28:26] SMARTS Parse Error: check for mistakes around position 2: 253: [14:28:26] *fail 253: [14:28:26] ~^ 253: [14:28:26] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail' 253: [14:28:26] no suitable SubstanceGroups found 253: [14:28:26] SUP group without any bonds 253: [14:28:26] SUP group without any bonds 253: =============================================================================== 253: All tests passed (203 assertions in 13 test cases) 253: 246/272 Test #253: testAbbreviations ...................... Passed 0.05 sec test 254 Start 254: pyAbbreviations 254: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py" 254: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/Abbreviations/Wrap 254: Test timeout computed to be: 7200 247: ............[14:28:26] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 247: [14:28:26] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 247: [14:28:26] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 247: ........[14:28:26] Explicit valence for atom # 1 O, 3, is greater than permitted 254: ....... 254: ---------------------------------------------------------------------- 254: Ran 7 tests in 0.019s 254: 254: OK 247/272 Test #254: pyAbbreviations ........................ Passed 0.25 sec test 255 Start 255: generalizedSubstructCatch 255: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch 255: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct 255: Test timeout computed to be: 7200 247: ...[14:28:26] WARNING: Omitted undefined stereo 247: 247: [14:28:26] WARNING: Omitted undefined stereo 247: 247: . 247: ---------------------------------------------------------------------- 247: Ran 41 tests in 3.251s 247: 247: OK 247: done 248/272 Test #247: pyMolStandardize ....................... Passed 3.54 sec test 256 Start 256: pyGeneralizedSubstruct 256: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py" 256: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/GeneralizedSubstruct/Wrap 256: Test timeout computed to be: 7200 255: Randomness seeded to: 1730864038 255: =============================================================================== 255: All tests passed (486 assertions in 10 test cases) 255: 249/272 Test #255: generalizedSubstructCatch .............. Passed 0.24 sec test 257 Start 257: testMolProcessing 257: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolProcessing/testMolProcessing 257: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolProcessing 257: Test timeout computed to be: 7200 256: ....... 256: ---------------------------------------------------------------------- 256: Ran 7 tests in 0.149s 256: 256: OK 250/272 Test #256: pyGeneralizedSubstruct ................. Passed 0.39 sec test 258 Start 258: pyMolProcessing 258: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py" 258: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolProcessing/Wrap 258: Test timeout computed to be: 7200 157: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 258: .. 258: ---------------------------------------------------------------------- 258: Ran 2 tests in 0.185s 258: 258: OK 251/272 Test #258: pyMolProcessing ........................ Passed 0.57 sec test 259 Start 259: testMIF 259: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInteractionFields/testMIF 259: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInteractionFields 259: Test timeout computed to be: 7200 259: Randomness seeded to: 2928936729 259: =============================================================================== 259: All tests passed (27926 assertions in 8 test cases) 259: 252/272 Test #259: testMIF ................................ Passed 0.08 sec test 260 Start 260: pyMIF 260: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py" 260: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/GraphMol/MolInteractionFields/Wrap 260: Test timeout computed to be: 7200 157: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 260: ....... 260: ---------------------------------------------------------------------- 260: Ran 7 tests in 0.181s 260: 260: OK 260: Testing MIF wrapper 253/272 Test #260: pyMIF .................................. Passed 0.44 sec test 261 Start 261: testQuery 261: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Query/testQuery 261: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Query 261: Test timeout computed to be: 7200 261: Randomness seeded to: 575946188 261: =============================================================================== 261: All tests passed (111 assertions in 16 test cases) 261: 254/272 Test #261: testQuery .............................. Passed 0.01 sec test 262 Start 262: testBaseFeatures 262: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Features/testBaseFeatures 262: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Features 262: Test timeout computed to be: 7200 262: Randomness seeded to: 1437240297 262: =============================================================================== 262: All tests passed (61 assertions in 3 test cases) 262: 255/272 Test #262: testBaseFeatures ....................... Passed 0.00 sec test 263 Start 263: testMatCalc 263: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataManip/MetricMatrixCalc/testMatCalc 263: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataManip/MetricMatrixCalc 263: Test timeout computed to be: 7200 263: 1.68022e+08 263: 1.73149e+08 263: 1.05549e+08 263: 7.20603e+07 263: 1.41535e+08 263: 1.08592e+08 263: 1.11334e+08 263: 2.05553e+08 263: 1.54962e+08 263: 8.08231e+07 263: 5.61421e+07 263: 1.28874e+08 263: 1.59011e+08 263: 8.69902e+07 263: 1.31367e+08 263: 2.27389e+08 263: 1.60289e+08 263: 7.79813e+07 263: 1.61001e+08 263: 2.07599e+08 263: 2.24432e+08 263: 1.39725e+08 263: 2.42614e+08 263: 1.77578e+08 263: 1.05908e+08 263: 9.06742e+07 263: 1.8087e+08 263: 1.98182e+08 263: 2.03052e+08 263: 1.7673e+08 263: 9.32798e+07 263: 1.37969e+08 263: 1.83778e+08 263: 2.1228e+08 263: 5.06157e+07 263: 1.566e+08 263: 2.37142e+08 263: 1.49345e+08 263: 7.05819e+07 263: 1.71633e+08 263: 1.96817e+08 263: 2.18246e+08 263: 9.49496e+07 263: 2.25618e+08 263: 1.30219e+08 256/272 Test #263: testMatCalc ............................ Passed 0.00 sec test 264 Start 264: pyMatCalc 264: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 264: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/DataManip/MetricMatrixCalc/Wrap 264: Test timeout computed to be: 7200 157: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 157: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 257: Randomness seeded to: 2553945693 257: =============================================================================== 257: All tests passed (203 assertions in 1 test case) 257: 257/272 Test #257: testMolProcessing ...................... Passed 1.87 sec test 265 Start 265: testSimDivPickers 265: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers/testSimDivPickers 265: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers 265: Test timeout computed to be: 7200 265: Randomness seeded to: 544190405 265: =============================================================================== 265: All tests passed (13 assertions in 2 test cases) 265: 258/272 Test #265: testSimDivPickers ...................... Passed 0.01 sec test 266 Start 266: pickersTestsCatch 266: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers/pickersTestsCatch 266: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers 266: Test timeout computed to be: 7200 264: ..... 264: ---------------------------------------------------------------------- 264: Ran 5 tests in 0.301s 264: 264: OK 266: Randomness seeded to: 3388780461 266: =============================================================================== 266: All tests passed (21267 assertions in 1 test case) 266: 259/272 Test #266: pickersTestsCatch ...................... Passed 0.08 sec test 267 Start 267: pySimDivPickers 267: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/SimDivPickers/Wrap/testPickers.py" 267: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/SimDivPickers/Wrap 267: Test timeout computed to be: 7200 260/272 Test #264: pyMatCalc .............................. Passed 0.60 sec test 268 Start 268: pyRanker 268: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ML/InfoTheory/Wrap/testRanker.py" 268: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ML/InfoTheory/Wrap 268: Test timeout computed to be: 7200 268: ..[14:28:29] 268: 268: **** 268: Invariant Violation 268: Can't rank more bits than the ensemble size 268: Violation occurred on line 154 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp 268: Failed Expression: num <= dp_maskBits->getNumOnBits() 268: ---------- 268: Stacktrace: 268: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 268: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 268: 2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitInfoTheory.so.1 268: 3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so 268: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so 268: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 268: 12# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 13# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 268: 14# _PyObject_MakeTpCall in /usr/bin/python3 268: 15# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 16# 0x00000000002AADF4 in /usr/bin/python3 268: 17# 0x00000000000AADF0 in /usr/bin/python3 268: 18# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 19# 0x00000000002AADF4 in /usr/bin/python3 268: 20# 0x00000000000AC98C in /usr/bin/python3 268: 21# 0x000000000019A2B8 in /usr/bin/python3 268: 22# _PyObject_MakeTpCall in /usr/bin/python3 268: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 24# 0x00000000002AADF4 in /usr/bin/python3 268: 25# 0x00000000000AADF0 in /usr/bin/python3 268: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 27# 0x00000000002AADF4 in /usr/bin/python3 268: 28# 0x00000000000AC98C in /usr/bin/python3 268: 29# 0x000000000019A2B8 in /usr/bin/python3 268: 30# _PyObject_MakeTpCall in /usr/bin/python3 268: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 32# 0x00000000002AADF4 in /usr/bin/python3 268: 33# 0x00000000000AADF0 in /usr/bin/python3 268: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 35# 0x00000000002AADF4 in /usr/bin/python3 268: 36# 0x00000000000AC98C in /usr/bin/python3 268: 37# 0x000000000019A2B8 in /usr/bin/python3 268: 38# _PyObject_MakeTpCall in /usr/bin/python3 268: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 40# 0x00000000002AADF4 in /usr/bin/python3 268: 41# 0x00000000000AC98C in /usr/bin/python3 268: 42# 0x0000000000193854 in /usr/bin/python3 268: 43# 0x0000000000189714 in /usr/bin/python3 268: 44# _PyObject_MakeTpCall in /usr/bin/python3 268: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 268: 46# PyEval_EvalCode in /usr/bin/python3 268: 47# 0x000000000033C338 in /usr/bin/python3 268: 48# 0x000000000033ECB8 in /usr/bin/python3 268: 49# 0x000000000033F214 in /usr/bin/python3 268: 50# 0x000000000037E5E8 in /usr/bin/python3 268: 51# Py_BytesMain in /usr/bin/python3 268: 52# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 268: 53# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 268: 54# _start in /usr/bin/python3 268: ---------- 268: **** 268: 268: .... 268: ---------------------------------------------------------------------- 268: Ran 6 tests in 0.027s 268: 268: OK 261/272 Test #268: pyRanker ............................... Passed 0.32 sec test 269 Start 269: testChemicalFeatures 269: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ChemicalFeatures/testChemicalFeatures 269: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ChemicalFeatures 269: Test timeout computed to be: 7200 269: Randomness seeded to: 1086427843 269: =============================================================================== 269: All tests passed (24 assertions in 1 test case) 269: 262/272 Test #269: testChemicalFeatures ................... Passed 0.00 sec test 270 Start 270: pyFeatures 270: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202609.1/Code/ChemicalFeatures/Wrap/testFeatures.py" 270: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/ChemicalFeatures/Wrap 270: Test timeout computed to be: 7200 270: .. 270: ---------------------------------------------------------------------- 270: Ran 2 tests in 0.001s 270: 270: OK 270: Testing ChemicalFeatures Wrapper code: 263/272 Test #270: pyFeatures ............................. Passed 0.23 sec test 271 Start 271: quickbench 271: Test command: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Bench/bench "--benchmark-samples" "1" "--benchmark-warmup-time" "0" 271: Working Directory: /build/reproducible-path/rdkit-202609.1/build-python3.14/Code/Bench 271: Test timeout computed to be: 7200 198: .........[14:28:29] Building the conformers of 7 synthons may take some time. 223: ..[14:28:30] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector2 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:28:30] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:28:30] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:28:30] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: [14:28:30] 223: 223: **** 223: Pre-condition Violation 223: no owner 223: Violation occurred on line 158 in file ./Code/GraphMol/Atom.h 223: Failed Expression: dp_mol 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 3# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: .....[14:28:30] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 0 < 0 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 28# _PyObject_MakeTpCall in /usr/bin/python3 223: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 30# 0x00000000002AADF4 in /usr/bin/python3 223: 31# 0x00000000000AADF0 in /usr/bin/python3 223: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 33# 0x00000000002AADF4 in /usr/bin/python3 223: 34# 0x00000000000AC98C in /usr/bin/python3 223: 35# 0x000000000019A2B8 in /usr/bin/python3 223: 36# _PyObject_MakeTpCall in /usr/bin/python3 223: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 38# 0x00000000002AADF4 in /usr/bin/python3 223: 39# 0x00000000000AADF0 in /usr/bin/python3 223: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 41# 0x00000000002AADF4 in /usr/bin/python3 223: 42# 0x00000000000AC98C in /usr/bin/python3 223: 43# 0x000000000019A2B8 in /usr/bin/python3 223: 44# _PyObject_MakeTpCall in /usr/bin/python3 223: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 46# 0x00000000002AADF4 in /usr/bin/python3 223: 47# 0x00000000000AADF0 in /usr/bin/python3 223: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 49# 0x00000000002AADF4 in /usr/bin/python3 223: 50# 0x00000000000AC98C in /usr/bin/python3 223: 51# 0x000000000019A2B8 in /usr/bin/python3 223: 52# _PyObject_MakeTpCall in /usr/bin/python3 223: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 54# 0x00000000002AADF4 in /usr/bin/python3 223: 55# 0x00000000000AC98C in /usr/bin/python3 223: 56# 0x0000000000193854 in /usr/bin/python3 223: 57# 0x0000000000189714 in /usr/bin/python3 223: 58# _PyObject_MakeTpCall in /usr/bin/python3 223: 59# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 60# PyEval_EvalCode in /usr/bin/python3 223: 61# 0x000000000033C338 in /usr/bin/python3 223: 62# 0x000000000033ECB8 in /usr/bin/python3 223: 63# 0x000000000033F214 in /usr/bin/python3 223: 64# 0x000000000037E5E8 in /usr/bin/python3 223: 65# Py_BytesMain in /usr/bin/python3 223: 66# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 68# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ......[14:28:30] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 223: [14:28:30] ERROR: Smiles parse error on line 0 223: [14:28:30] ERROR: Cannot create molecule from : 'c1ccccc' 223: [14:28:30] SMILES Parse Error: extra open parentheses while parsing: C(C 223: [14:28:30] SMILES Parse Error: check for mistakes around position 2: 223: [14:28:30] C(C 223: [14:28:30] ~^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 223: [14:28:30] ERROR: Smiles parse error on line 3 223: [14:28:30] ERROR: Cannot create molecule from : 'C(C' 223: [14:28:30] Explicit valence for atom # 1 C, 5, is greater than permitted 223: [14:28:30] ERROR: Could not sanitize molecule on line 6 223: [14:28:30] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 223: [14:28:30] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 223: [14:28:30] ERROR: Smiles parse error on line 0 223: [14:28:30] ERROR: Cannot create molecule from : 'c1ccccc' 223: [14:28:30] SMILES Parse Error: extra open parentheses while parsing: C(C 223: [14:28:30] SMILES Parse Error: check for mistakes around position 2: 223: [14:28:30] C(C 223: [14:28:30] ~^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 223: [14:28:30] ERROR: Smiles parse error on line 3 223: [14:28:30] ERROR: Cannot create molecule from : 'C(C' 223: [14:28:30] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC' 223: [14:28:30] ERROR: Smiles parse error on line 6 223: [14:28:30] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC' 223: [14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] ERROR: Could not sanitize molecule ending on line 21 223: [14:28:30] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] ERROR: EOF hit while reading atoms 223: [14:28:30] ERROR: moving to the beginning of the next molecule 223: [14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] ERROR: Could not sanitize molecule ending on line 21 223: [14:28:30] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] ERROR: EOF hit while reading atoms 223: [14:28:30] ERROR: moving to the beginning of the next molecule 223: ....[14:28:30] 223: 223: **** 223: Pre-condition Violation 223: RingInfo not initialized 223: Violation occurred on line 171 in file ./Code/GraphMol/RingInfo.cpp 223: Failed Expression: df_init 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: .................[14:28:30] 223: 223: **** 223: Range Error 223: idx 223: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 223: Failed Expression: 3 < 1 223: ---------- 223: Stacktrace: 223: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 223: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitGraphMol.so.1 223: 3# boost::python::objects::caller_py_function_impl >, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 5# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 7# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so 223: 8# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 9# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so 223: 10# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so 223: 11# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so 223: 12# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 13# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 223: 14# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 223: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 16# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 17# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 18# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 19# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 20# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 223: 21# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 22# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 23# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 223: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 26# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 223: 27# _PyObject_MakeTpCall in /usr/bin/python3 223: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 29# 0x00000000002AADF4 in /usr/bin/python3 223: 30# 0x00000000000AADF0 in /usr/bin/python3 223: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 32# 0x00000000002AADF4 in /usr/bin/python3 223: 33# 0x00000000000AC98C in /usr/bin/python3 223: 34# 0x000000000019A2B8 in /usr/bin/python3 223: 35# _PyObject_MakeTpCall in /usr/bin/python3 223: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 37# 0x00000000002AADF4 in /usr/bin/python3 223: 38# 0x00000000000AADF0 in /usr/bin/python3 223: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 40# 0x00000000002AADF4 in /usr/bin/python3 223: 41# 0x00000000000AC98C in /usr/bin/python3 223: 42# 0x000000000019A2B8 in /usr/bin/python3 223: 43# _PyObject_MakeTpCall in /usr/bin/python3 223: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 45# 0x00000000002AADF4 in /usr/bin/python3 223: 46# 0x00000000000AADF0 in /usr/bin/python3 223: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 48# 0x00000000002AADF4 in /usr/bin/python3 223: 49# 0x00000000000AC98C in /usr/bin/python3 223: 50# 0x000000000019A2B8 in /usr/bin/python3 223: 51# _PyObject_MakeTpCall in /usr/bin/python3 223: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 53# 0x00000000002AADF4 in /usr/bin/python3 223: 54# 0x00000000000AC98C in /usr/bin/python3 223: 55# 0x0000000000193854 in /usr/bin/python3 223: 56# 0x0000000000189714 in /usr/bin/python3 223: 57# _PyObject_MakeTpCall in /usr/bin/python3 223: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 223: 59# PyEval_EvalCode in /usr/bin/python3 223: 60# 0x000000000033C338 in /usr/bin/python3 223: 61# 0x000000000033ECB8 in /usr/bin/python3 223: 62# 0x000000000033F214 in /usr/bin/python3 223: 63# 0x000000000037E5E8 in /usr/bin/python3 223: 64# Py_BytesMain in /usr/bin/python3 223: 65# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 66# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 223: 67# _start in /usr/bin/python3 223: ---------- 223: **** 223: 223: ....[14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 223: ........................../usr/lib/python3.14/tempfile.py:538: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmps21tws8i.mrv'>> 223: _warnings.warn(self.warn_message, ResourceWarning) 223: ...[14:28:30] SMILES Parse Error: unclosed ring for input: 'C1CC' 223: .......643 223: ..[14:28:30] WARNING: not removing hydrogen atom without neighbors 223: [14:28:30] WARNING: not removing hydrogen atom with dummy atom neighbors 223: [14:28:30] WARNING: not removing hydrogen atom with wedged bond 223: [14:28:30] WARNING: not removing hydrogen atom without neighbors 223: [14:28:30] WARNING: not removing hydrogen atom with dummy atom neighbors 157: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 223: ......[14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: .[14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] Explicit valence for atom # 1 F, 2, is greater than permitted 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: [14:28:30] Can't kekulize mol. Unkekulized atoms: 0 1 2 223: ..........[14:28:30] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 223: [14:28:30] SMARTS Parse Error: check for mistakes around position 4: 223: [14:28:30] CCC |$foo;;bar$| ourname 223: [14:28:30] ~~~^ 223: [14:28:30] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 223: .[14:28:30] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 223: [14:28:30] SMILES Parse Error: check for mistakes around position 4: 223: [14:28:30] CCC |$foo;;bar$| ourname 223: [14:28:30] ~~~^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 223: ..[14:28:30] SMILES Parse Error: syntax error while parsing: error 223: [14:28:30] SMILES Parse Error: check for mistakes around position 1: 223: [14:28:30] error 223: [14:28:30] ^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error' 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd' 223: [14:28:30] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error' 223: [14:28:30] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd' 223: ..........................[14:28:30] SMILES Parse Error: syntax error while parsing: garbage_0 223: [14:28:30] SMILES Parse Error: check for mistakes around position 1: 223: [14:28:30] garbage_0 223: [14:28:30] ^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0' 223: [14:28:30] SMILES Parse Error: syntax error while parsing: garbage_2 223: [14:28:30] SMILES Parse Error: check for mistakes around position 1: 223: [14:28:30] garbage_2 223: [14:28:30] ^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2' 223: [14:28:30] SMILES Parse Error: syntax error while parsing: garbage_4 223: [14:28:30] SMILES Parse Error: check for mistakes around position 1: 223: [14:28:30] garbage_4 223: [14:28:30] ^ 223: [14:28:30] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4' 223: ............ 223: ---------------------------------------------------------------------- 223: Ran 293 tests in 11.941s 223: 223: OK 223: supplier: 223: supplier: 223: supplier: 264/272 Test #223: pyGraphMolWrap ......................... Passed 12.78 sec test 272 Start 272: pythonProjectTests 272: Test command: /usr/bin/python3 "-m" "pytest" 272: Working Directory: /build/reproducible-path/rdkit-202609.1/Projects 272: Test timeout computed to be: 7200 267: ........... 267: ---------------------------------------------------------------------- 267: Ran 11 tests in 1.687s 267: 267: OK 265/272 Test #267: pySimDivPickers ........................ Passed 1.99 sec 157: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 271: Randomness seeded to: 931298741 271: 271: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 271: bench is a Catch2 v3.7.1 host application. 271: Run with -? for options 271: 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumSpiroAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/descriptors.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumSpiroAtoms 1 8 61.328 us 271: 7.76713 us 7.76713 us 7.76713 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumBridgeheadAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/descriptors.cpp:22 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Descriptors::calcNumBridgeheadAtoms 1 6 62.286 us 271: 10.4828 us 10.4828 us 10.4828 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MorganFingerprints::getFingerprint 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/fingerprint.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MorganFingerprints::getFingerprint 1 1 959.893 us 271: 794.61 us 794.61 us 794.61 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: bench_common::nth_random 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/meta.cpp:8 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: bench_common::nth_random 1 29643 29.643 us 271: 1.81888 ns 1.81888 ns 1.81888 ns 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol copy constructor 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol copy constructor 1 1 300.231 us 271: 238.058 us 238.058 us 238.058 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol destructor 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:25 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol destructor 1 1 169.281 us 271: 165.727 us 165.727 us 165.727 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: memory pressure test 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:41 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 272: ============================= test session starts ============================== 272: platform linux -- Python 3.14.10, pytest-9.1.1, pluggy-1.6.0 272: rootdir: /build/reproducible-path/rdkit-202609.1/Projects 272: configfile: pytest.ini 272: collected 12 items 272: 271: memory pressure test 1 1 96.031 us 271: 54.678 us 54.678 us 54.678 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::getNumHeavyAtoms 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/mol.cpp:63 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::getNumHeavyAtoms 1 72 57.456 us 271: 805.375 ns 805.375 ns 805.375 ns 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::addHs 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:11 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::addHs 1 1 777.112 us 271: 754.999 us 754.999 us 754.999 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::FindSSR 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::FindSSR 1 1 843.422 us 271: 836.149 us 836.149 us 836.149 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::getMolFrags 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/molops.cpp:35 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::getMolFrags 1 1 2.91271 ms 271: 3.04477 ms 3.04477 ms 3.04477 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolPickler::pickleMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/pickle.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolPickler::pickleMol 1 1 640.632 us 271: 326.838 us 326.838 us 326.838 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolPickler::molFromPickle 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/pickle.cpp:23 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolPickler::molFromPickle 1 1 1.13713 ms 271: 1.02559 ms 1.02559 ms 1.02559 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: SmilesToMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: SmilesToMol 1 1 4.0432 ms 271: 3.53579 ms 3.53579 ms 3.53579 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToSmiles 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToSmiles 1 1 1.98793 ms 271: 1.64288 ms 1.64288 ms 1.64288 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToCXSmiles 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/smiles.cpp:36 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToCXSmiles 1 1 2.56069 ms 271: 2.34447 ms 2.34447 ms 2.34447 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: Chirality::findPotentialStereo 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:15 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: Chirality::findPotentialStereo 1 1 1.33386 ms 271: 1.82594 ms 1.82594 ms 1.82594 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: CIPLabeler::assignCIPLabels 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:36 271: ............................................................................... 271: 157: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 198: [14:28:33] Resuming building SynthonSpace shapes. 198: [14:28:33] Building the conformers of 7 synthons may take some time. 157: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 271: CIPLabeler::assignCIPLabels 1 1 808.481 ms 271: 790.437 ms 790.437 ms 790.437 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:45 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: legacy=true 1 1 879.413 us 271: 1.69449 ms 1.69449 ms 1.69449 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/stereo.cpp:45 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolOps::assignStereochemistry 271: legacy=false 1 1 2.04854 ms 271: 2.40584 ms 2.40584 ms 2.40584 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:62 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch 1 1 275.851 us 271: 188.558 us 188.558 us 188.558 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch RLewis 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:77 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch RLewis 1 1 34.5128 ms 271: 33.5622 ms 33.5622 ms 33.5622 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch patty 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/substruct_match.cpp:94 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: ROMol::GetSubstructMatch patty 1 1 5.86388 ms 271: 5.81346 ms 5.81346 ms 5.81346 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: MolToInchi 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:12 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: MolToInchi 1 1 7.24964 ms 271: 6.30345 ms 6.30345 ms 6.30345 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: InchiToInchiKey 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:24 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: InchiToInchiKey 1 1 77.83 us 271: 45.047 us 45.047 us 45.047 us 271: 0 ns 0 ns 0 ns 271: 271: 271: ------------------------------------------------------------------------------- 271: InchiToMol 271: ------------------------------------------------------------------------------- 271: ./Code/Bench/inchi.cpp:40 271: ............................................................................... 271: 271: benchmark name samples iterations est run time 271: mean low mean high mean 271: std dev low std dev high std dev 271: ------------------------------------------------------------------------------- 271: InchiToMol 1 1 11.4379 ms 271: 11.1041 ms 11.1041 ms 11.1041 ms 271: 0 ns 0 ns 0 ns 271: 271: 271: =============================================================================== 271: All tests passed (859 assertions in 25 test cases) 271: 266/272 Test #271: quickbench ............................. Passed 4.61 sec 157: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 157: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 157: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 244: [14:28:38] Explicit valence for atom # 0 Br, 1, is greater than permitted 244: =============================================================================== 244: All tests passed (38410 assertions in 55 test cases) 244: 267/272 Test #244: molStandardizeCatchTest ................ Passed 16.19 sec 157: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 157: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 157: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 157: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 157: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 157: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 157: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 157: ------------------------------------- 157: 157: ------------------------------------- 157: 157: ------------------------------------- 157: 157: ------------------------------------- 157: 157: ------------------------------------- 157: 157: ------------------------------------- 157: 157: ------------------------------------- 157: 198: ....[14:28:45] 198: 198: **** 198: Invariant Violation 198: molzip: bond info not properly setup for bgn atom with label:1 198: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 198: Failed Expression: bond.a 198: ---------- 198: Stacktrace: 198: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 198: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitRDGeneral.so.1 198: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 198: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 198: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitChemTransforms.so.1 198: 5# RDKit::SynthonSpaceSearch::SynthonSet::buildMolecule(std::vector > const&) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 198: 6# RDKit::SynthonSpaceSearch::SynthonSet::buildSampleMolecules(std::vector >, std::allocator > > >, std::allocator >, std::allocator > > > > > const&, unsigned long) const in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 198: 7# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 198: 8# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 198: 9# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/lib/libRDKitSynthonSpaceSearch.so.1 198: 10# RDKit::helpers::readTextFile_helper(RDKit::SynthonSpaceSearch::SynthonSpace&, std::__cxx11::basic_string, std::allocator > const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so 198: 11# boost::python::objects::caller_py_function_impl, std::allocator > const&), boost::python::default_call_policies, boost::mpl::vector3, std::allocator > const&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so 198: 12# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 13# 0x000000000002C9D4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 14# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 15# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 198: 16# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so 198: 17# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so 198: 18# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 19# 0x00000000001D5ED4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 20# 0x00000000001D5E64 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 21# 0x00000000001D5DF4 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 22# 0x00000000001D5D84 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 23# 0x00000000001D5D14 in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so 198: 24# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 25# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 26# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 27# boost::detail::function::function_obj_invoker, boost::_bi::list, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function_n const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function_n const&) in /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so 198: 28# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 29# 0x00000000000292A4 in /usr/lib/loongarch64-linux-gnu/libboost_python314.so.1.92.0 198: 30# _PyObject_MakeTpCall in /usr/bin/python3 198: 31# 0x00000000000AAE98 in /usr/bin/python3 198: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 33# 0x00000000002AADF4 in /usr/bin/python3 198: 34# 0x00000000000AADF0 in /usr/bin/python3 198: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 36# 0x00000000002AADF4 in /usr/bin/python3 198: 37# 0x00000000000AC98C in /usr/bin/python3 198: 38# 0x000000000019A2B8 in /usr/bin/python3 198: 39# _PyObject_MakeTpCall in /usr/bin/python3 198: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 41# 0x00000000002AADF4 in /usr/bin/python3 198: 42# 0x00000000000AADF0 in /usr/bin/python3 198: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 44# 0x00000000002AADF4 in /usr/bin/python3 198: 45# 0x00000000000AC98C in /usr/bin/python3 198: 46# 0x000000000019A2B8 in /usr/bin/python3 198: 47# _PyObject_MakeTpCall in /usr/bin/python3 198: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 49# 0x00000000002AADF4 in /usr/bin/python3 198: 50# 0x00000000000AADF0 in /usr/bin/python3 198: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 52# 0x00000000002AADF4 in /usr/bin/python3 198: 53# 0x00000000000AC98C in /usr/bin/python3 198: 54# 0x000000000019A2B8 in /usr/bin/python3 198: 55# _PyObject_MakeTpCall in /usr/bin/python3 198: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 57# 0x00000000002AADF4 in /usr/bin/python3 198: 58# 0x00000000000AC98C in /usr/bin/python3 198: 59# 0x0000000000193854 in /usr/bin/python3 198: 60# 0x0000000000189714 in /usr/bin/python3 198: 61# _PyObject_MakeTpCall in /usr/bin/python3 198: 62# _PyEval_EvalFrameDefault in /usr/bin/python3 198: 63# PyEval_EvalCode in /usr/bin/python3 198: 64# 0x000000000033C338 in /usr/bin/python3 198: 65# 0x000000000033ECB8 in /usr/bin/python3 198: 66# 0x000000000033F214 in /usr/bin/python3 198: 67# 0x000000000037E5E8 in /usr/bin/python3 198: 68# Py_BytesMain in /usr/bin/python3 198: 69# 0x000000000001DD08 in /usr/lib/loongarch64-linux-gnu/libc.so.6 198: 70# __libc_start_main in /usr/lib/loongarch64-linux-gnu/libc.so.6 198: 71# _start in /usr/bin/python3 198: ---------- 198: **** 198: 198: [14:28:45] Explicit valence for atom # 4 C, 5, is greater than permitted 164: =============================================================================== 164: All tests passed (3 assertions in 1 test case) 164: 268/272 Test #164: testDgeomHelpersGH3019-shard-0/1 ....... Passed 154.76 sec 272: DbCLI/UnitTestDbCLI.py ............ [100%] 272: 272: =============================== warnings summary =============================== 272: ../../../../usr/lib/python3.14/importlib/__init__.py:88 272: /usr/lib/python3.14/importlib/__init__.py:88: DeprecationWarning: the Projects.DbCLI.CreateDb module is deprecated 272: return _bootstrap._gcd_import(name[level:], package, level) 272: 272: DbCLI/CreateDb.py:60 272: /build/reproducible-path/rdkit-202609.1/Projects/DbCLI/CreateDb.py:60: DeprecationWarning: the rdkit.Chem.MolDb module is deprecated 272: from rdkit.Chem.MolDb import Loader 272: 272: ../build-python3.14/rdkit/Chem/MolDb/Loader_sa.py:17 272: /build/reproducible-path/rdkit-202609.1/build-python3.14/rdkit/Chem/MolDb/Loader_sa.py:17: MovedIn20Warning: The ``declarative_base()`` function is now available as sqlalchemy.orm.declarative_base(). (deprecated since: 2.0) (Background on SQLAlchemy 2.0 at: https://sqlalche.me/e/b8d9) 272: decBase = declarative_base() 272: 272: ../../../../usr/lib/python3.14/importlib/__init__.py:88 272: /usr/lib/python3.14/importlib/__init__.py:88: DeprecationWarning: the Projects.DbCLI.SearchDb module is deprecated 272: return _bootstrap._gcd_import(name[level:], package, level) 272: 272: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 272: ======================= 12 passed, 4 warnings in 23.80s ======================== 198: .[14:28:55] Timed out. 198: [14:28:55] Timed out. 198: .[14:28:55] Building the conformers of 7 synthons may take some time. 269/272 Test #272: pythonProjectTests ..................... Passed 24.80 sec 157: =============================================================================== 157: All tests passed (66994 assertions in 12 test cases) 157: 270/272 Test #157: testDistGeomHelpers-shard-1/3 .......... Passed 169.23 sec 198: . 198: ---------------------------------------------------------------------- 198: Ran 18 tests in 86.002s 198: 198: OK 198: Restart num shapes : 3 198: Final num shapes : 7 271/272 Test #198: pySynthonSpaceSearch ................... Passed 86.50 sec 165: =============================================================================== 165: All tests passed (3 assertions in 1 test case) 165: 272/272 Test #165: testDgeomHelpersGH3019-shard-1/1 ....... Passed 176.84 sec 100% tests passed, 0 tests failed out of 272 Total Test time (real) = 212.37 sec make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' create-stamp debian/debhelper-build-stamp dh_testroot -a -O--buildsystem=cmake dh_prep -a -O--buildsystem=cmake debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' for py in python3.15 python3.14; do \ dh_auto_install --builddirectory=build-$py; \ done cd build-python3.15 && make -j8 install DESTDIR=/build/reproducible-path/rdkit-202609.1/debian/tmp AM_UPDATE_INFO_DIR=no INSTALL="install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' /usr/bin/cmake -S/build/reproducible-path/rdkit-202609.1 -B/build/reproducible-path/rdkit-202609.1/build-python3.15 --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/conftest.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/pidSVG.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt4.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pidPDF.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgen.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfmetrics.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfutils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgeom.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfdoc.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/formatted-strings.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/pidPS.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/fontinfo.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/latin1MetricsCache.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/colors.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/pidPyart.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/pidWxDc.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/pidWX.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/README -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pidPIL.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/pid.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/util -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/util/HTMLPiddler.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/util/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/stringformat.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/utils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK/pidTK.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/pagesizes.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/testallps.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/pstests.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/pidtest.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDRandom.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/pytest.ini -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Avalon -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Avalon/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDConfig.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/BitEnsembleDb.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/VectCollection.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/TopNContainer.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/LazySignature.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/BitEnsemble.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/BitUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/HierarchyVis.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/Metric -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/Metric/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Numerics -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Numerics/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/SLT -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/SLT/Risk.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/SLT/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/MLUtils -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/MLUtils/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/MLUtils/VoteImg.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Scoring -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Scoring/Scoring.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Scoring/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/MatOps.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/ClusterVis.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Standardize.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Butina.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Resemblance.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/murtagh_test.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Murtagh.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Clusters.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/ClusterUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/entropy.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitRank.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitClusterer.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/DataUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/FindQuantBounds.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Quantize.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Transforms.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/MLData.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Stats.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/SplitData.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors/Descriptors.py -- Installing: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/spiral.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/chemutils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/listutils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/retest.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/cactvs.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/chemdraw_qax.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Geometry -- Installing: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/fmcs/fmcs -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemicalForceFields.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fragments.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/InchiInfo.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/MolKey.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Supply.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Output.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Filter.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SDSupply.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/demo.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Transform.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Node.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbInfo.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbModule.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbConnection.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbResultSet.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/StorageUtils.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/SimilarityPickers.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/__init__.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDLogger.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/README.md -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Crippen.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Salts.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/rddata.sql -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/RDData.sqlt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/wiki -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/index.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/conf.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/exts -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/DnaDoubleStrand.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/PeptideConversion.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png -- Installing: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/Exceptions.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BadFileException.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BoostStartInclude.h -- Installing: 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-- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ForceField/rdForceField.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ZMatrix.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ZMatrixUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/DistGeomUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/TriangleSmooth.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry/DistGeom.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/CatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/Catalog.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/CatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Atom.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/atomic_data.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/AtomIterators.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Atropisomers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Bond.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Canon.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/details.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryAtom.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryBond.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryOps.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RDKitBase.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RDKitQueries.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Resonance.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RingInfo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Rings.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ROMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroAtomInfo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroBondInfo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroMolTemplate.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subset.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileWriters.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/PNGParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenterJSONParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdTautomerQuery.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfiltercatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfragcatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/BCUT.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Lipinski.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolSurf.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MQN.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Property.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/DCLV.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/EEM.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PBF.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PMI.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RDF.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MORSE.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/WHIM.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MACCS.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MHFP.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFingerprintGenerator.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMHFPFingerprint.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdPartialCharges.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolTransforms.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/GaussianTorsionAngleContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdForceFieldHelpers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/ZMatrixBuilder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDistGeom.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolAlign.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdShapeHelpers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolCatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GaussianShape.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ShapeInput.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ShapeOverlayOptions.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGaussianShape.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSGroupData.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FMCS/FMCS.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FMCS/Graph.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFMCS.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolHash/MolHash.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolHash/nmmolhash.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolHash.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MMPA/MMPA.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMMPA.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRascalMCES.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonShapeInput.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/ProgressBar.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/Flippers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Deprotect/Deprotect.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDeprotect.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdReducedGraphs.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRGroupDecomposition.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DetermineBonds/DetermineBonds.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDetermineBonds.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/details.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolInterchange.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolops.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdqueries.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Metal.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Normalize.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Validate.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Charge.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Fragment.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolEnumerator.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdAbbreviations.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGeneralizedSubstruct.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolProcessing.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMIF.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/AndQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/LessQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/OrQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/Query.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/QueryObjects.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/RangeQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/SetQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/XOrQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Features/Feature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/rdSimDivPickers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Clustering.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/cQuantize.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2026.09.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemicalFeatures.cpython-314-loongarch64-linux-gnu.so ===================================================================== PostgreSQL cartridge installation succeeded. ===================================================================== Restart the PostgreSQL service before using the PostgreSQL RDKit cartridge. ===================================================================== -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDPaths.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.15' cd build-python3.14 && make -j8 install DESTDIR=/build/reproducible-path/rdkit-202609.1/debian/tmp AM_UPDATE_INFO_DIR=no INSTALL="install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' /usr/bin/cmake -S/build/reproducible-path/rdkit-202609.1 -B/build/reproducible-path/rdkit-202609.1/build-python3.14 --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/conftest.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/pidSVG.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt4.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pidPDF.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgen.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfmetrics.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfutils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgeom.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfdoc.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/formatted-strings.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/pidPS.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/fontinfo.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/psmetrics.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/latin1MetricsCache.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/colors.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/pidPyart.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/pidWxDc.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/WX/pidWX.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm -- Up-to-date: 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Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/murtagh_test.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Murtagh.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Clusters.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/ClusterUtils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/entropy.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitRank.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitClusterer.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/DataUtils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/FindQuantBounds.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Quantize.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Transforms.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/MLData.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/Stats.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/SplitData.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py -- Up-to-date: 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Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/fileutils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/chemdraw.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/spiral.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/chemutils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/listutils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/retest.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/utils/cactvs.py -- Up-to-date: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Transform.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Node.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbInfo.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbModule.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbConnection.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbResultSet.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbUtils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/StorageUtils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/SimilarityPickers.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDLogger.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Crippen.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Salts.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/rddata.sql -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Data/RDData.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/wiki -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/index.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/conf.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/exts -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/DnaDoubleStrand.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/PeptideConversion.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg -- Up-to-date: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/efgs -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png -- Up-to-date: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb -- Up-to-date: 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Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/M_Kossner -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/MolVS -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/ConformerParser -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap -- Up-to-date: 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/build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/nbWrap/CMakeLists.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/nbWrap/rdConformerParser.cpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/testData -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/IFG -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/IFG/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/Glare -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/pytest.ini -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__ -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/CreateDb.cpython-314.pyc -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/UnitTestDbCLI.cpython-314-pytest-9.1.1.pyc -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/SearchDb.cpython-314.pyc -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/README -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/inchi.pyi.diff -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/rdchem.pyi.diff -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/__init__.pyi.diff -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__main__.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/test.sh -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/README.md -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/license.txt -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDInchiLib.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/inchi.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdinchi.cpython-314-loongarch64-linux-gnu.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/CoordGen.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdCoordGen.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitga.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeneral.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/Exceptions.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BadFileException.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BoostStartInclude.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BoostEndInclude.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/ControlCHandler.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/Dict.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/FileParseException.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/Invariant.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDAny.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDValue.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-doublemagic.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-taggedunion.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDLog.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDProps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDThreads.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/StreamOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/types.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/utils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/versions.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDConfig.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/LocaleSwitcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/Ranking.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hanoiSort.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/RDExportMacros.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/export.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/test.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/BetterEnums.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/enum.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDBoost.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDBoost.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/Wrap.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/PySequenceHolder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/list_indexing_suite.hpp -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/python.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/boost_numpy.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/python_streambuf.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDBoost/pyint_api.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/rdBase.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDStreams.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDStreams.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDStreams.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/RDStreams/streams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDataStructs.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDataStructs.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDataStructs.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/base64.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/BitOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/BitVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/BitVects.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/BitVectUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/DatastructsException.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/DatastructsStreamOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/DiscreteDistMat.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/DiscreteValueVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/RealValueVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/ExplicitBitVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/SparseBitVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/SparseIntVect.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/FPBReader.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataStructs/MultiFPBReader.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataStructs/cDataStructs.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRDGeometryLib.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/Grid3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/GridUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/point.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/Transform2D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/Transform3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/Transform.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/UniformGrid3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/UniformRealValueGrid3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Geometry/Utils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Geometry/rdGeometry.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAlignment.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAlignment.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAlignment.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Alignment/AlignPoints.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Numerics/rdAlignment.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEigenSolvers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitOptimizer.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitOptimizer.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitOptimizer.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Optimizer/BFGSOpt_SVE.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Matrix.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/SquareMatrix.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/SymmMatrix.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Vector.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Numerics/Conrec.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceField.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceField.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceField.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/Contrib.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/ForceField.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/AngleConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/AngleConstraints.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraints.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/PositionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/TorsionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleBend.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/BondStretch.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Contribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/DistanceConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/PositionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Nonbonded.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Params.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Utils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversion.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversions.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionAngle.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleBend.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/BondStretch.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/StretchBend.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/OopBend.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionAngle.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/Nonbonded.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/Contribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ForceField/rdForceField.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeometry.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ZMatrix.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ZMatrixUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/DistGeomUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DistGeom/TriangleSmooth.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DistanceGeometry/DistGeom.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCatalogs.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/CatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/Catalog.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Catalogs/CatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGraphMol.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Atom.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/atomic_data.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/AtomIterators.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Atropisomers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Bond.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Canon.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/details.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryAtom.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryBond.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/QueryOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RDKitBase.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RDKitQueries.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Resonance.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RingInfo.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Rings.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ROMol.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroAtomInfo.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroBondInfo.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroMol.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MacroMolTemplate.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subset.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSmilesParse.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDepictor.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDepictor.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMarvinParser.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFileParsers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileWriters.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/PNGParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructMatch.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGenericGroups.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemReactions.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemReactions.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemTransforms.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenterJSONParser.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTautomerQuery.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdTautomerQuery.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubgraphs.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFilterCatalog.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfiltercatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFragCatalog.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfragcatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDescriptors.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/BCUT.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Lipinski.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolSurf.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MQN.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Property.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/DCLV.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/EEM.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PBF.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PMI.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RDF.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MORSE.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/WHIM.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolDescriptors.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFingerprints.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MACCS.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MHFP.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFingerprintGenerator.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMHFPFingerprint.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitPartialCharges.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdPartialCharges.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolTransforms.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolTransforms.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/GaussianTorsionAngleContribs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdForceFieldHelpers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/ZMatrixBuilder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDistGeom.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolAlign.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitO3AAlign.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolAlign.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolChemicalFeatures.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitShapeHelpers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdShapeHelpers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolCatalog.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolCatalog.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGaussianShape.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GaussianShape.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ShapeInput.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ShapeOverlayOptions.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGaussianShape.cpython-314-loongarch64-linux-gnu.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSGroupData.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolDraw2D.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitFMCS.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FMCS/FMCS.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/FMCS/Graph.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFMCS.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolHash.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolHash/MolHash.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolHash/nmmolhash.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolHash.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMMPA.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MMPA/MMPA.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMMPA.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRascalMCES.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRascalMCES.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonShapeInput.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/ProgressBar.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/Flippers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdEnumerateStereoisomers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitCIPLabeler.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdCIPLabeler.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDeprotect.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Deprotect/Deprotect.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDeprotect.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitReducedGraphs.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdReducedGraphs.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitTrajectory.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSubstructLibrary.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSubstructLibrary.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRGroupDecomposition.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitDetermineBonds.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/DetermineBonds/DetermineBonds.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDetermineBonds.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInterchange.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/details.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolInterchange.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSLNParse.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSLNParse.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdchem.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolops.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdqueries.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolfiles.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdtrajectory.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolStandardize.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Metal.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Normalize.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Validate.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Charge.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Fragment.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolEnumerator.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolEnumerator.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitAbbreviations.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdAbbreviations.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGeneralizedSubstruct.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolProcessing.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolProcessing.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitMolInteractionFields.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMIF.cpython-314-loongarch64-linux-gnu.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/AndQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/LessQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/OrQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/Query.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/QueryObjects.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/RangeQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/SetQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Query/XOrQuery.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/Features/Feature.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitSimDivPickers.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/rdSimDivPickers.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKithc.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Clustering.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/cQuantize.cpython-314-loongarch64-linux-gnu.so -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2026.09.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1 -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/libRDKitChemicalFeatures.so -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Up-to-date: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemicalFeatures.cpython-314-loongarch64-linux-gnu.so ===================================================================== PostgreSQL cartridge installation succeeded. ===================================================================== Restart the PostgreSQL service before using the PostgreSQL RDKit cartridge. ===================================================================== -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDPaths.py -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config.cmake -- Installing: /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake make[2]: Leaving directory '/build/reproducible-path/rdkit-202609.1/build-python3.14' make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' mkdir -p /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3/dist-packages for py in python3.15 python3.14; do \ for dir in site-packages dist-packages; do \ if [ -d /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/$py/$dir ]; then \ cp -a /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/$py/$dir/* /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3/dist-packages/; \ fi; \ done; \ rm -f -rf /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/$py; \ done ln -sf /usr/share/fonts/truetype/freefont/FreeSans.ttf /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3/dist-packages/rdkit/Chem/Draw/FreeSans.ttf dh_install -ppython3-rdkit /usr/lib/python3 rm -f -rf /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/lib/python3/dist-packages/rdkit/docs/ rm -f -rf /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/__pycache__ rm -f -rf /build/reproducible-path/rdkit-202609.1/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__ dh_install for v in $(pg_buildext supported-versions); do \ mkdir -p debian/postgresql-$v-rdkit/usr/lib/postgresql/$v/lib/ debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \ cp Code/PgSQL/rdkit/build-$v/librdkit.so debian/postgresql-$v-rdkit/usr/lib/postgresql/$v/lib/rdkit.so; \ cp Code/PgSQL/rdkit/build-$v/rdkit*.sql debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \ cp Code/PgSQL/rdkit/build-$v/update_sql/rdkit*.sql debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \ cp Code/PgSQL/rdkit/rdkit.control debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \ done mkdir -p /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit/ # cp /build/reproducible-path/rdkit-202609.1/Docs/Book/_build/latex/RDKit.pdf /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit/ cp -a /build/reproducible-path/rdkit-202609.1/Docs/Book/_build/html /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit/ ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit//html/cppapi/jquery.js ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/jquery.js ln -sf /usr/share/javascript/underscore/underscore.js /build/reproducible-path/rdkit-202609.1/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/underscore.js make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' dh_installdocs -a -O--buildsystem=cmake debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' dh_installchangelogs ReleaseNotes.md make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' debian/rules override_dh_python3 make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' dh_python3 -ppython3-rdkit dh_numpy3 -ppython3-rdkit Possible precedence problem between ! and pattern match (m//) at /usr/bin/dh_numpy3 line 68. make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' dh_installsystemduser -a -O--buildsystem=cmake dh_lintian -a -O--buildsystem=cmake dh_perl -a -O--buildsystem=cmake dh_link -a -O--buildsystem=cmake dh_strip_nondeterminism -a -O--buildsystem=cmake dh_compress -a -O--buildsystem=cmake dh_fixperms -a -O--buildsystem=cmake debian/rules override_dh_missing make[1]: Entering directory '/build/reproducible-path/rdkit-202609.1' dh_missing --list-missing dh_missing: warning: usr/lib/postgresql/18/lib/rdkit.so exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example1.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example10.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example11.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example12.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example13.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example14.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example15.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example16.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example17.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example2.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example3.cpp exists in 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exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/solubility.train.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/test_multi_colours.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/exts/extapi.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/DnaDoubleStrand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/parastereo_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/parastereo_2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_10.jpg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_10.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_11.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/picture_12.png exists in debian/tmp but is not 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usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/terminology_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/CIPLabeling.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/EnhancedStereo.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/SGroups.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.inkscape.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.lrg.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/compounds.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/RD.css exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/README.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/FeatFinderCLI.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/PythonFormat.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/README.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/create_deb_packages.sh exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/__init__.pyi.diff exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/inchi.pyi.diff exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/patch/rdkit/Chem/rdchem.pyi.diff exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/patch_rdkit_docstrings/__main__.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/test.sh exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/license.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--3.8--4.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.0--4.0.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.0.1--4.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.1--4.1.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.1.1--4.2.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.2--4.3.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.3.0--4.4.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.4.0--4.5.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.5.0--4.6.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.6.0--4.6.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.6.1--4.7.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.7.0--4.8.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit--4.8.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/18/extension/rdkit.control exists in debian/tmp but is not installed to anywhere The following debhelper tools have reported what they installed (with files per package) * dh_install: librdkit-dev (67), librdkit1t64 (130), postgresql-18-rdkit (0), python3-rdkit (1), rdkit-data (3), rdkit-doc (0) * dh_installdocs: librdkit-dev (0), librdkit1t64 (0), postgresql-18-rdkit (0), python3-rdkit (0), rdkit-data (0), rdkit-doc (0) If the missing files are installed by another tool, please file a bug against it. When filing the report, if the tool is not part of debhelper itself, please reference the "Logging helpers and dh_missing" section from the "PROGRAMMING" guide for debhelper (10.6.3+). (in the debhelper package: /usr/share/doc/debhelper/PROGRAMMING.md.gz) Be sure to test with dpkg-buildpackage -A/-B as the results may vary when only a subset is built If the omission is intentional or no other helper can take care of this consider adding the paths to debian/not-installed. make[1]: Leaving directory '/build/reproducible-path/rdkit-202609.1' dh_dwz -a -O--buildsystem=cmake dh_strip -a -O--buildsystem=cmake dh_makeshlibs -a -O--buildsystem=cmake dh_shlibdeps -a -O--buildsystem=cmake dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib64/ld-linux-loongarch-lp64d.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-loongarch-lp64d.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib64/ld-linux-loongarch-lp64d.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-loongarch-lp64d.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib64/ld-linux-loongarch-lp64d.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-loongarch-lp64d.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/postgresql-18-rdkit/usr/lib/postgresql/18/lib/rdkit.so contains an unresolvable reference to symbol cstring_to_text: it is probably a plugin dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all) dh_installdeb -a -O--buildsystem=cmake dh_gencontrol -a -O--buildsystem=cmake dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dpkg-gencontrol: warning: Breaks field of package postgresql-18-rdkit: substitution variable ${postgresql:Breaks} used, but is not defined dpkg-gencontrol: warning: Breaks field of package postgresql-18-rdkit: substitution variable ${postgresql:Breaks} used, but is not defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dh_md5sums -a -O--buildsystem=cmake dh_builddeb -a -O--buildsystem=cmake dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'postgresql-18-rdkit-dbgsym' in '../postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb'. dpkg-deb: building package 'postgresql-18-rdkit' in '../postgresql-18-rdkit_202609.1-1+b1_loong64.deb'. dpkg-genbuildinfo --build=any -O../rdkit_202609.1-1+b1_loong64.buildinfo dpkg-genchanges --build=any -O../rdkit_202609.1-1+b1_loong64.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 2026-11-02T14:31:44Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes Mon, 02 Nov 2026 14:31:46 +0000 | +------------------------------------------------------------------------------+ rdkit_202609.1-1+b1_loong64.changes: ------------------------------------ Format: 1.8 Date: Wed, 21 Oct 2026 04:47:42 +0000 Source: rdkit (202609.1-1) Binary: librdkit-dev librdkit1t64 librdkit1t64-dbgsym postgresql-18-rdkit postgresql-18-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym Binary-Only: yes Architecture: loong64 Version: 202609.1-1+b1 Distribution: unstable Urgency: low Maintainer: Debichem Team Changed-By: loong64 Build Daemon (loongson-conova-02) Description: librdkit-dev - Collection of cheminformatics and machine-learning software (deve librdkit1t64 - Collection of cheminformatics and machine-learning software (shar postgresql-18-rdkit - Cheminformatics and machine-learning software (PostgreSQL Cartrid python3-rdkit - Collection of cheminformatics and machine-learning software Changes: rdkit (202609.1-1+b1) sid; urgency=low, binary-only=yes . * Binary-only non-maintainer upload for loong64; no source changes. * Rebuild with Python 3.15 as supported version Checksums-Sha1: ecec61320e465915956975d79db37712c97572c8 540420 librdkit-dev_202609.1-1+b1_loong64.deb 03c87497203649473575b882e60500767bb9ba2e 143991532 librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 3fa6999e141450876f642133fd362151db5fcf91 6596300 librdkit1t64_202609.1-1+b1_loong64.deb f4f85976aa8fd0c59214dabdb6d2bb841cf0530d 1241912 postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 4a455a358e19a98f2cf75d58ee90013f178acbf8 269588 postgresql-18-rdkit_202609.1-1+b1_loong64.deb 5801adbca56ee7eb705c76a705e4b22e083a7a06 69161020 python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 021df2cc53666228b35bbd131a99d9cce1728427 5011888 python3-rdkit_202609.1-1+b1_loong64.deb 1494679f71cebed8d852a5d2bd38dbe216048953 18498 rdkit_202609.1-1+b1_loong64.buildinfo Checksums-Sha256: e987079c6806bd10dec3656f2f2ce4e814de91018222115a24039c4aaa633a57 540420 librdkit-dev_202609.1-1+b1_loong64.deb 54071727be99a12da877056f23e82fbaee463548f27a482ed81c392c4e416dfb 143991532 librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 8a0c7309d942120d51713e0e92b2f590b82f1b5a6abfdf13b82fce140ade34fd 6596300 librdkit1t64_202609.1-1+b1_loong64.deb aff5f2e721ccfdc06d221a72236eb278378b303dd713bfa7464ef5e3333885ed 1241912 postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 91466fa444312de6c28fca271fb1d6860a7e2b9a2b293c4c8a749067b09c5657 269588 postgresql-18-rdkit_202609.1-1+b1_loong64.deb 2098c023b02285a4f613d4af3bb670f8acdee51d09094ee60eb3c15f2256e983 69161020 python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 86cf18b017b18c824d49941fd5335d628fa63466892e0696c448f5b6ecc7325e 5011888 python3-rdkit_202609.1-1+b1_loong64.deb b92d2f813b778fdbbd8dac9291329d0cc2bc4ce5ca595a1dbf490ca6db76b2a8 18498 rdkit_202609.1-1+b1_loong64.buildinfo Files: d557f198818f172866a322773a37fcc5 540420 libdevel optional librdkit-dev_202609.1-1+b1_loong64.deb 9883e3489bcf7845eeb7615f19b04c15 143991532 debug optional librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 3273920fba4d4c11389066ba38ff7118 6596300 libs optional librdkit1t64_202609.1-1+b1_loong64.deb 3605464d9811b38c125cadfc2e54561d 1241912 debug optional postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 08b7f5cdfc8268cbff0e3756ea291d6e 269588 database optional postgresql-18-rdkit_202609.1-1+b1_loong64.deb 4d68c78b5d2d9ea8cdc8f98dcad6a742 69161020 debug optional python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 394a47af4e5ee5ddb8a340cdc2db0422 5011888 python optional python3-rdkit_202609.1-1+b1_loong64.deb b7de6981ed8fdfb2209beaaff72a3d2b 18498 science optional rdkit_202609.1-1+b1_loong64.buildinfo +------------------------------------------------------------------------------+ | Buildinfo Mon, 02 Nov 2026 14:31:47 +0000 | +------------------------------------------------------------------------------+ Format: 1.0 Source: rdkit (202609.1-1) Binary: librdkit-dev librdkit1t64 librdkit1t64-dbgsym postgresql-18-rdkit postgresql-18-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym Architecture: loong64 Version: 202609.1-1+b1 Binary-Only-Changes: rdkit (202609.1-1+b1) sid; urgency=low, binary-only=yes . * Binary-only non-maintainer upload for loong64; no source changes. * Rebuild with Python 3.15 as supported version . -- loong64 Build Daemon (loongson-conova-02) Wed, 21 Oct 2026 04:47:42 +0000 Checksums-Md5: d557f198818f172866a322773a37fcc5 540420 librdkit-dev_202609.1-1+b1_loong64.deb 9883e3489bcf7845eeb7615f19b04c15 143991532 librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 3273920fba4d4c11389066ba38ff7118 6596300 librdkit1t64_202609.1-1+b1_loong64.deb 3605464d9811b38c125cadfc2e54561d 1241912 postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 08b7f5cdfc8268cbff0e3756ea291d6e 269588 postgresql-18-rdkit_202609.1-1+b1_loong64.deb 4d68c78b5d2d9ea8cdc8f98dcad6a742 69161020 python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 394a47af4e5ee5ddb8a340cdc2db0422 5011888 python3-rdkit_202609.1-1+b1_loong64.deb Checksums-Sha1: ecec61320e465915956975d79db37712c97572c8 540420 librdkit-dev_202609.1-1+b1_loong64.deb 03c87497203649473575b882e60500767bb9ba2e 143991532 librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 3fa6999e141450876f642133fd362151db5fcf91 6596300 librdkit1t64_202609.1-1+b1_loong64.deb f4f85976aa8fd0c59214dabdb6d2bb841cf0530d 1241912 postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 4a455a358e19a98f2cf75d58ee90013f178acbf8 269588 postgresql-18-rdkit_202609.1-1+b1_loong64.deb 5801adbca56ee7eb705c76a705e4b22e083a7a06 69161020 python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 021df2cc53666228b35bbd131a99d9cce1728427 5011888 python3-rdkit_202609.1-1+b1_loong64.deb Checksums-Sha256: e987079c6806bd10dec3656f2f2ce4e814de91018222115a24039c4aaa633a57 540420 librdkit-dev_202609.1-1+b1_loong64.deb 54071727be99a12da877056f23e82fbaee463548f27a482ed81c392c4e416dfb 143991532 librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb 8a0c7309d942120d51713e0e92b2f590b82f1b5a6abfdf13b82fce140ade34fd 6596300 librdkit1t64_202609.1-1+b1_loong64.deb aff5f2e721ccfdc06d221a72236eb278378b303dd713bfa7464ef5e3333885ed 1241912 postgresql-18-rdkit-dbgsym_202609.1-1+b1_loong64.deb 91466fa444312de6c28fca271fb1d6860a7e2b9a2b293c4c8a749067b09c5657 269588 postgresql-18-rdkit_202609.1-1+b1_loong64.deb 2098c023b02285a4f613d4af3bb670f8acdee51d09094ee60eb3c15f2256e983 69161020 python3-rdkit-dbgsym_202609.1-1+b1_loong64.deb 86cf18b017b18c824d49941fd5335d628fa63466892e0696c448f5b6ecc7325e 5011888 python3-rdkit_202609.1-1+b1_loong64.deb Build-Origin: Debian Build-Architecture: loong64 Build-Date: Mon, 02 Nov 2026 14:31:41 +0000 Build-Path: /build/reproducible-path/rdkit-202609.1 Installed-Build-Depends: adduser (= 3.159), architecture-properties (= 0.2.6+b2), autoconf (= 2.73-2), automake (= 1:1.19-3), autopoint (= 1.0-5), autotools-dev (= 20240727.1+nmu1), base-files (= 14.2), base-passwd (= 3.6.8+b1), bash (= 5.3-4), binutils (= 2.47.50.20261021-1), binutils-common (= 2.47.50.20261021-1), binutils-loongarch64-linux-gnu (= 2.47.50.20261021-1), bison (= 2:3.8.2+dfsg-1+b3), bsdextrautils (= 2.42.4-1), bubblewrap (= 0.13.1-1), build-essential (= 12.12+b1), bzip2 (= 1.0.8-6+b2), ca-certificates (= 20260816+nmu1), catch2 (= 3.7.1-0.6), cmake (= 4.3.4-1), coreutils (= 9.10-1), cpp (= 4:16.1.0-3), cpp-16 (= 16.2.0-4), cpp-16-loongarch64-linux-gnu (= 16.2.0-4), cpp-loongarch64-linux-gnu (= 4:16.1.0-3), dash (= 0.5.12-12+b1), debconf (= 1.5.92), debhelper (= 14.5), debianutils (= 5.24), dh-autoreconf (= 23), dh-python (= 7.20261025), dh-strip-nondeterminism (= 1.15.1-1), diffutils (= 1:3.12-1+b1), docutils-common (= 0.23+dfsg-2), doxygen (= 1.17.0+ds-1.1), dpkg (= 1.23.11), dpkg-dev (= 1.23.11), dwz (= 0.17-1), file (= 1:5.47-4), findutils (= 4.11.0-3), flex (= 2.6.4-8.2+b5), fontconfig (= 2.17.1-5), fontconfig-config (= 2.17.1-5), fonts-dejavu-core (= 2.37-9), fonts-dejavu-mono (= 2.37-9), fonts-lmodern (= 2.005-2), g++ (= 4:16.1.0-3), g++-16 (= 16.2.0-4), g++-16-loongarch64-linux-gnu (= 16.2.0-4), g++-loongarch64-linux-gnu (= 4:16.1.0-3), gcc (= 4:16.1.0-3), gcc-16 (= 16.2.0-4), gcc-16-base (= 16.2.0-4), gcc-16-loongarch64-linux-gnu (= 16.2.0-4), gcc-loongarch64-linux-gnu (= 4:16.1.0-3), gettext (= 1.0-5), gettext-base (= 1.0-5), girepository-tools (= 2.90.1-2), glycin-loaders (= 2.2.3+ds-1), glycin-thumbnailers (= 2.2.3+ds-1), grep (= 3.12-1+b1), groff-base (= 1.24.2-2), gzip (= 1.14-1), hicolor-icon-theme (= 0.18-2), hostname (= 3.25+b1), imagemagick (= 8:7.1.2.34+dfsg1-1), imagemagick-7-common (= 8:7.1.2.34+dfsg1-1), imagemagick-7.q16 (= 8:7.1.2.34+dfsg1-1), init-system-helpers (= 1.69+nmu3), intltool-debian (= 0.35.0+20060710.6), latexmk (= 1:4.88~ds-1), libabsl20260526 (= 20260526.0-2+b1), libacl1 (= 2.4.0-1), libaom3 (= 3.14.1-1), libapache-pom-java (= 33-2), libarchive-zip-perl (= 1.68-1), libarchive13t64 (= 3.8.10-2), libasan8 (= 16.2.0-4), libatomic1 (= 16.2.0-4), libattr1 (= 1:2.6.0-1), libaudit-common (= 1:4.1.2-1), libaudit1 (= 1:4.1.2-1+b2), libavif16 (= 1.4.2-1), libbinutils (= 2.47.50.20261021-1), libblas3 (= 3.12.1-8), libblkid-dev (= 2.42.4-1), libblkid1 (= 2.42.4-1), libboost-atomic1.92-dev (= 1.92.0-4+b1), libboost-atomic1.92.0 (= 1.92.0-4+b1), libboost-chrono1.92-dev (= 1.92.0-4+b1), libboost-chrono1.92.0 (= 1.92.0-4+b1), libboost-container1.92-dev (= 1.92.0-4+b1), libboost-container1.92.0 (= 1.92.0-4+b1), libboost-date-time1.92-dev (= 1.92.0-4+b1), libboost-date-time1.92.0 (= 1.92.0-4+b1), libboost-dev (= 1.92.0.1), libboost-exception1.92-dev (= 1.92.0-4+b1), libboost-graph1.92-dev (= 1.92.0-4+b1), libboost-graph1.92.0 (= 1.92.0-4+b1), libboost-iostreams-dev (= 1.92.0.1), libboost-iostreams1.92-dev (= 1.92.0-4+b1), libboost-iostreams1.92.0 (= 1.92.0-4+b1), libboost-math1.92-dev (= 1.92.0-4+b1), libboost-math1.92.0 (= 1.92.0-4+b1), libboost-numpy-dev (= 1.92.0.1), libboost-numpy1.92-dev (= 1.92.0-4+b1), libboost-numpy1.92.0 (= 1.92.0-4+b1), libboost-program-options-dev (= 1.92.0.1), libboost-program-options1.92-dev (= 1.92.0-4+b1), libboost-program-options1.92.0 (= 1.92.0-4+b1), libboost-python-dev (= 1.92.0.1), libboost-python1.92-dev (= 1.92.0-4+b1), libboost-python1.92.0 (= 1.92.0-4+b1), libboost-random1.92-dev (= 1.92.0-4+b1), libboost-random1.92.0 (= 1.92.0-4+b1), libboost-regex-dev (= 1.92.0.1), libboost-regex1.92-dev (= 1.92.0-4+b1), libboost-regex1.92.0 (= 1.92.0-4+b1), libboost-serialization1.92-dev (= 1.92.0-4+b1), libboost-serialization1.92.0 (= 1.92.0-4+b1), libboost-test1.92-dev (= 1.92.0-4+b1), libboost-test1.92.0 (= 1.92.0-4+b1), libboost-thread-dev (= 1.92.0.1), libboost-thread1.92-dev (= 1.92.0-4+b1), libboost-thread1.92.0 (= 1.92.0-4+b1), libboost1.92-dev (= 1.92.0-4+b1), libbrotli-dev (= 1.2.0-4.1), libbrotli1 (= 1.2.0-4.1), libbsd0 (= 0.12.2-3), libbz2-1.0 (= 1.0.8-6+b2), libbz2-dev (= 1.0.8-6+b2), libc-bin (= 2.43-7), libc-dev-bin (= 2.43-7), libc-gconv-modules-extra (= 2.43-7), libc6 (= 2.43-7), libc6-dev (= 2.43-7), libcairo-gobject2 (= 1.18.4-3+b1), libcairo-script-interpreter2 (= 1.18.4-3+b1), libcairo2 (= 1.18.4-3+b1), libcairo2-dev (= 1.18.4-3+b1), libcap-ng0 (= 0.9.6-1+b1), libcap2 (= 1:2.78-1+b1), libcatch2-dev (= 3.7.1-0.6+b2), libcc1-0 (= 16.2.0-4), libcom-err2 (= 1.47.4-1+b2), libcommons-logging-java (= 1.4.0-1), libcommons-parent-java (= 56-1), libcoordgen-dev (= 3.0.2-4), libcoordgen3 (= 3.0.2-4), libcrypt1 (= 1:4.5.2+20251210-1), libctf-nobfd0 (= 2.47.50.20261021-1), libctf0 (= 2.47.50.20261021-1), libcurl4t64 (= 8.23.0-1), libdatrie1 (= 0.2.14-2), libdav1d7 (= 1.5.4-1), libdb5.3t64 (= 5.3.28+dfsg2-11+b1), libde265-0 (= 1.1.3-1+b1), libdebconfclient0 (= 0.283), libdebhelper-perl (= 14.5), libdeflate0 (= 1.25-1), libdpkg-perl (= 1.23.11), libeigen3-dev (= 5.0.1-3), libelf1t64 (= 0.196-1), libexpat1 (= 2.9.0-1), libexpat1-dev (= 2.9.0-1), libffi-dev (= 3.8.0-2), libffi8 (= 3.8.0-2), libfftw3-double3 (= 3.3.11-1), libfile-stripnondeterminism-perl (= 1.15.1-1), libfmt11 (= 11.1.1+ds1-2), libfontbox-java (= 1:1.8.17-1), libfontconfig-dev (= 2.17.1-5), libfontconfig1 (= 2.17.1-5), libfontenc1 (= 1:1.1.8-1+b3), libfreetype-dev (= 2.14.3+dfsg-3), libfreetype6 (= 2.14.3+dfsg-3), libfribidi0 (= 1.0.16-5+b1), libgav1-2 (= 0.20.0-2+b2), libgcc-16-dev (= 16.2.0-4), libgcc-s1 (= 16.2.0-4), libgdbm-compat4t64 (= 1.26-1+b2), libgdbm6t64 (= 1.26-1+b2), libgdk-pixbuf-2.0-0 (= 2.44.8+dfsg-1), libgdk-pixbuf2.0-common (= 2.44.8+dfsg-1), libgfortran5 (= 16.2.0-4), libgio-2.0-dev (= 2.90.1-2), libgio-2.0-dev-bin (= 2.90.1-2), libgirepository-2.0-0 (= 2.90.1-2), libglib2.0-0t64 (= 2.90.1-2), libglib2.0-bin (= 2.90.1-2), libglib2.0-data (= 2.90.1-2), libglib2.0-dev (= 2.90.1-2), libglib2.0-dev-bin (= 2.90.1-2), libglycin-2-0 (= 2.2.3+ds-1), libgmp10 (= 2:6.3.0+dfsg-5+b2), libgomp1 (= 16.2.0-4), libgraphite2-3 (= 1.3.15-2), libgssapi-krb5-2 (= 1.22.1-3), libharfbuzz-subset0 (= 12.3.2-2+b2), libharfbuzz0b (= 12.3.2-2+b2), libheif-plugin-dav1d (= 1.23.6-2), libheif-plugin-libde265 (= 1.23.6-2), libheif1 (= 1.23.6-2), libhwloc15 (= 2.15.0-2), libice-dev (= 2:1.1.1-1+b2), libice6 (= 2:1.1.1-1+b2), libicu78 (= 78.3-2), libidn2-0 (= 2.3.8-5), libimagequant0 (= 4.4.1-1+b2), libinchi-dev (= 1.07.3+dfsg-2+b1), libinchi1.07 (= 1.07.3+dfsg-2+b1), libio-pty-perl (= 1:1.31-1+b1), libipc-run-perl (= 20260402.0-1), libisl23 (= 0.28-1), libitm1 (= 16.2.0-4), libjansson4 (= 2.15.1-1), libjbig0 (= 2.1-6.1+b3), libjpeg62-turbo (= 1:3.1.3-4), libjs-sphinxdoc (= 9.2.0-1), libjson-perl (= 4.10000-1), libjsoncpp26 (= 1.9.8-2), libjxl0.11 (= 0.11.2-5.1), libk5crypto3 (= 1.22.1-3), libkeyutils1 (= 1.6.3-6+b2), libkpathsea6 (= 2026.20260303.78225+ds-5), libkrb5-3 (= 1.22.1-3), libkrb5support0 (= 1.22.1-3), liblapack3 (= 3.12.1-8), liblcms2-2 (= 2.19.1-1), libldap2 (= 2.6.14+dfsg-2), liblerc4 (= 4.2.0+ds-1), liblqr-1-0 (= 0.4.2-2.2+b1), liblsan0 (= 16.2.0-4), libltdl7 (= 2.6.2-3), liblua5.4-0 (= 5.4.9-1), liblz4-1 (= 1.10.0-10), liblzma-dev (= 5.8.4-1), liblzma5 (= 5.8.4-1), liblzo2-2 (= 2.10-3+b2), libmaeparser-dev (= 1.3.3-4+b2), libmaeparser1 (= 1.3.3-4+b2), libmagic-mgc (= 1:5.47-4), libmagic1t64 (= 1:5.47-4), libmagickcore-7.q16-10 (= 8:7.1.2.34+dfsg1-1), libmagickwand-7.q16-10 (= 8:7.1.2.34+dfsg1-1), libmd0 (= 1.3.0-1), libmount-dev (= 2.42.4-1), libmount1 (= 2.42.4-1), libmpc3 (= 1.3.1-3), libmpfi0 (= 1.5.5+ds-3), libmpfr6 (= 4.2.2-3), libncursesw6 (= 6.6+20260608-2), libnettle8t64 (= 3.10.2-1+b1), libnghttp2-14 (= 1.70.0-1), libnghttp3-9 (= 1.17.0-1), libngtcp2-16 (= 1.24.0-1), libngtcp2-crypto-ossl0 (= 1.24.0-1), libnuma1 (= 2.0.19-1+b2), libopenjp2-7 (= 2.5.4-1.1), libpam-modules (= 1.7.0-8), libpam-modules-bin (= 1.7.0-8), libpam-runtime (= 1.7.0-8), libpam0g (= 1.7.0-8), libpango-1.0-0 (= 1.58.2-1), libpangocairo-1.0-0 (= 1.58.2-1), libpangoft2-1.0-0 (= 1.58.2-1), libpaper-utils (= 2.2.5-0.4), libpaper2 (= 2.2.5-0.4), libpcre2-16-0 (= 10.48-3.1), libpcre2-32-0 (= 10.48-3.1), libpcre2-8-0 (= 10.48-3.1), libpcre2-dev (= 10.48-3.1), libpcre2-posix3 (= 10.48-3.1), libpdfbox-java (= 1:1.8.17-1), libperl5.42 (= 5.42.3-1), libpipeline1 (= 1.5.8-3), libpixman-1-0 (= 0.46.4-1+b2), libpixman-1-dev (= 0.46.4-1+b2), libpkgconf7 (= 2.5.1-4), libpng-dev (= 1.6.59-1), libpng16-16t64 (= 1.6.59-1), libpotrace0 (= 1.16-2+b3), libpq-dev (= 18.6-3), libpq5 (= 18.6-3), libproc2-1 (= 2:4.0.7-1), libpsl5t64 (= 0.23.3-1), libptexenc1 (= 2026.20260303.78225+ds-5), libpython3-all-dev (= 3.14.8-1), libpython3-dev (= 3.14.8-1), libpython3-stdlib (= 3.14.8-1), libpython3.14 (= 3.14.10-1), libpython3.14-dev (= 3.14.10-1), libpython3.14-minimal (= 3.14.10-1), libpython3.14-stdlib (= 3.14.10-1), libpython3.15 (= 3.15.2-1), libpython3.15-dev (= 3.15.2-1), libpython3.15-minimal (= 3.15.2-1), libpython3.15-stdlib (= 3.15.2-1), libraqm0 (= 0.10.5-1), libraw25 (= 0.22.1-1), libreadline8t64 (= 8.3-4), librhash1 (= 1.4.6-1.1+b1), libringdecomposerlib-dev (= 1.1.3-2), librsvg2-2 (= 2.63.3+dfsg-1), librsvg2-bin (= 2.63.3+dfsg-1), libsasl2-2 (= 2.1.28+dfsg1-12), libsasl2-modules-db (= 2.1.28+dfsg1-12), libseccomp2 (= 2.6.1-1+b2), libselinux-dev (= 3.11-2.1+b1), libselinux1 (= 3.11-2.1+b1), libsemanage-common (= 3.11-1), libsemanage2 (= 3.11-1+b2), libsepol-dev (= 3.11-1), libsepol2 (= 3.11-1), libsframe3 (= 2.47.50.20261021-1), libsharpyuv0 (= 1.6.0-0.1), libsm-dev (= 2:1.2.6-1+b2), libsm6 (= 2:1.2.6-1+b2), libsmartcols1 (= 2.42.4-1), libspdlog1.15 (= 1:1.15.3+ds-1+b3), libsqlite3-0 (= 3.53.4-2), libsqlite3-dev (= 3.53.4-2), libssh2-1t64 (= 1.11.1-6), libssl-dev (= 3.6.5-1), libssl3t64 (= 3.6.5-1), libstdc++-16-dev (= 16.2.0-4), libstdc++6 (= 16.2.0-4), libsvtav1enc4 (= 4.2.0+dfsg-3), libsynctex2 (= 2026.20260303.78225+ds-5), libsysprof-capture-4-dev (= 51.0-2), libsystemd-shared (= 262.1-1), libsystemd0 (= 262.1-1), libtbb-dev (= 2023.1.0-3), libtbb12 (= 2023.1.0-3), libtbbbind-2-5 (= 2023.1.0-3), libtbbmalloc2 (= 2023.1.0-3), libteckit0 (= 2.5.13+ds-2), libtexlua53-5 (= 2026.20260303.78225+ds-5), libtext-charwidth-perl (= 0.04-12+b1), libtext-wrapi18n-perl (= 0.06-11), libthai-data (= 0.1.30-3), libthai0 (= 0.1.30-3), libtiff6 (= 4.7.2-1), libtinfo6 (= 6.6+20260608-2), libtool (= 2.6.2-3), libtsan2 (= 16.2.0-4), libubsan1 (= 16.2.0-4), libuchardet0 (= 0.0.8-2+b2), libudev1 (= 262.1-1), libunistring5 (= 1.4.2-1), libuuid1 (= 2.42.4-1), libuv1t64 (= 1.53.0-1), libwebp7 (= 1.6.0-0.1), libwebpdemux2 (= 1.6.0-0.1), libwebpmux3 (= 1.6.0-0.1), libx11-6 (= 2:1.8.14-1), libx11-data (= 2:1.8.14-1), libx11-dev (= 2:1.8.14-1), libxapian30 (= 1.4.32-1), libxau-dev (= 1:1.0.11-1+b2), libxau6 (= 1:1.0.11-1+b2), libxaw7 (= 2:1.0.16-1+b2), libxcb-render0 (= 1.17.0-2+b2), libxcb-render0-dev (= 1.17.0-2+b2), libxcb-shm0 (= 1.17.0-2+b2), libxcb-shm0-dev (= 1.17.0-2+b2), libxcb1 (= 1.17.0-2+b2), libxcb1-dev (= 1.17.0-2+b2), libxdmcp-dev (= 1:1.1.5-2+b1), libxdmcp6 (= 1:1.1.5-2+b1), libxext-dev (= 2:1.3.4-1+b4), libxext6 (= 2:1.3.4-1+b4), libxi6 (= 2:1.8.4-1), libxml2-16 (= 2.15.4+dfsg-1+b1), libxmu6 (= 2:1.1.3-4+b1), libxpm4 (= 1:3.5.20-1), libxrender-dev (= 1:0.9.13-1), libxrender1 (= 1:0.9.13-1), libxt6t64 (= 1:1.2.1-1.3+b2), libxxhash0 (= 0.8.3-2+b2), libyaml-0-2 (= 0.2.5-2+b1), libyuv0 (= 0.0.1974.20261008-1), libzstd-dev (= 1.5.7+dfsg-4), libzstd1 (= 1.5.7+dfsg-4), libzzip-0-13t64 (= 0.13.78+dfsg.1-0.2+b1), linux-libc-dev (= 7.2.12-1), login.defs (= 1:4.20.3-1), m4 (= 1.4.21-1), make (= 4.4.1-3+b1), man-db (= 2.13.1-1+b1), mawk (= 1.3.4.20260302-2), media-types (= 14.0.0), native-architecture (= 0.2.6), ncurses-base (= 6.6+20260608-2), ncurses-bin (= 6.6+20260608-2), netbase (= 6.6), openssl (= 3.6.5-1), openssl-provider-legacy (= 3.6.5-1), pandoc (= 3.11-1), pandoc-data (= 3.11-1), passwd (= 1:4.20.3-1), patch (= 2.8.1-1), perl (= 5.42.3-1), perl-base (= 5.42.3-1), perl-modules-5.42 (= 5.42.3-1), pkgconf (= 2.5.1-4), pkgconf-bin (= 2.5.1-4), po-debconf (= 1.0.22), postgresql-client-18 (= 18.6-3), postgresql-client-common (= 293), postgresql-common (= 293), postgresql-common-dev (= 293), postgresql-server-dev-18 (= 18.6-3), postgresql-server-dev-all (= 293), preview-latex-style (= 13.2-1.1), procps (= 2:4.0.7-1), python-babel-localedata (= 2.18.0+git2026-08-12-3), python3 (= 3.14.8-1), python3-alabaster (= 1.0.0-2), python3-all (= 3.14.8-1), python3-all-dev (= 3.14.8-1), python3-babel (= 2.18.0+git2026-08-12-3), python3-certifi (= 2026.10.19+ds-1), python3-chardet (= 5.2.0+dfsg-2), python3-charset-normalizer (= 3.4.7-2+b3), python3-commonmark (= 0.9.2-1), python3-dateutil (= 3.0.0-2), python3-dev (= 3.14.8-1), python3-docutils (= 0.23+dfsg-2), python3-greenlet (= 3.3.2-5), python3-idna (= 3.20-1), python3-imagesize (= 2.0.1-1), python3-iniconfig (= 2.1.0-2), python3-jinja2 (= 3.1.6-4), python3-linkify-it (= 2.2.0-1), python3-markdown-it (= 4.2.0-4), python3-markupsafe (= 3.0.3-2+b2), python3-mdit-py-plugins (= 0.6.1-1), python3-mdurl (= 0.1.2-2), python3-minimal (= 3.14.8-1), python3-myst-parser (= 5.1.0-2), python3-numpy (= 1:2.4.6+ds-5+b1), python3-numpy-dev (= 1:2.4.6+ds-5+b1), python3-packaging (= 26.2-3), python3-pandas (= 2.3.3+dfsg-6), python3-pandas-lib (= 2.3.3+dfsg-5), python3-pil (= 13.0.0-1+b1), python3-pluggy (= 1.6.0-2), python3-pygments (= 2.20.0+dfsg-2), python3-pytest (= 9.1.1-1), python3-pytz (= 2026.5-1), python3-recommonmark (= 0.7.1+ds-9), python3-requests (= 2.34.2-1), python3-roman-numerals (= 4.1.0-1), python3-snowballstemmer (= 3.1.1-1), python3-sphinx (= 9.2.0-1), python3-sqlalchemy (= 2.0.52+ds1-1), python3-typing-extensions (= 4.16.0-5), python3-uc-micro (= 2.0.0-1), python3-urllib3 (= 2.8.0-2), python3-yaml (= 6.0.3-1+b3), python3.14 (= 3.14.10-1), python3.14-dev (= 3.14.10-1), python3.14-minimal (= 3.14.10-1), python3.15 (= 3.15.2-1), python3.15-dev (= 3.15.2-1), python3.15-minimal (= 3.15.2-1), rapidjson-dev (= 1.1.0+dfsg2-7.6), readline-common (= 8.3-4), sed (= 4.9-3), sensible-utils (= 0.0.26), sgml-base (= 1.31+nmu1), shared-mime-info (= 2.4-5+b2), sphinx-common (= 9.2.0-1), ssl-cert (= 1.2.0), systemd (= 262.1-1), sysvinit-utils (= 3.18-1), t1utils (= 1.41-4+b1), tar (= 1.35+dfsg-6), tex-common (= 6.21), tex-gyre (= 20180621-8), texlive-base (= 2026.20260911-1), texlive-binaries (= 2026.20260303.78225+ds-5), texlive-fonts-recommended (= 2026.20260911-1), texlive-latex-base (= 2026.20260911-1), texlive-latex-extra (= 2026.20260911-1), texlive-latex-recommended (= 2026.20260911-1), texlive-pictures (= 2026.20260911-1), tzdata (= 2026e-1), ucf (= 3.0056), util-linux (= 2.42.4-1), uuid-dev (= 2.42.4-1), x11-common (= 1:7.7+26), x11proto-dev (= 2025.1-1), xdg-utils (= 1.2.1-2), xfonts-encodings (= 1:1.0.4-2.2), xfonts-utils (= 1:7.7+7+b1), xml-core (= 0.21), xorg-sgml-doctools (= 1:1.12.1-1), xtrans-dev (= 1.6.0-1), xz-utils (= 5.8.4-1), zlib1g (= 1:1.3.dfsg+really1.3.2-4), zlib1g-dev (= 1:1.3.dfsg+really1.3.2-4) Environment: DEB_BUILD_OPTIONS="parallel=8" LANG="C.UTF-8" LC_COLLATE="C.UTF-8" LC_CTYPE="C.UTF-8" SOURCE_DATE_EPOCH="1792558062" +------------------------------------------------------------------------------+ | Package contents Mon, 02 Nov 2026 14:31:47 +0000 | +------------------------------------------------------------------------------+ librdkit-dev_202609.1-1+b1_loong64.deb -------------------------------------- new Debian package, version 2.0. size 540420 bytes: control archive=11388 bytes. 1526 bytes, 37 lines control 33717 bytes, 395 lines md5sums Package: librdkit-dev Source: rdkit (202609.1-1) Version: 202609.1-1+b1 Architecture: loong64 Maintainer: Debichem Team Installed-Size: 3005 Depends: librdkit1t64 (= 202609.1-1+b1) Section: libdevel Priority: optional Homepage: http://www.rdkit.org Description: Collection of cheminformatics and machine-learning software (development files) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include: . * Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format. . This package contains the header files. drwxr-xr-x root/root 0 2026-10-21 04:47 ./ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Catalogs/ -rw-r--r-- root/root 15921 2026-10-03 06:49 ./usr/include/rdkit/Catalogs/Catalog.h -rw-r--r-- root/root 1364 2026-10-03 06:49 ./usr/include/rdkit/Catalogs/CatalogEntry.h -rw-r--r-- root/root 1243 2026-10-03 06:49 ./usr/include/rdkit/Catalogs/CatalogParams.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/ChemicalFeatures/ -rw-r--r-- root/root 1052 2026-10-03 06:49 ./usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -rw-r--r-- root/root 2936 2026-10-03 06:49 ./usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/DataManip/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/DataManip/MetricMatrixCalc/ -rw-r--r-- root/root 1867 2026-10-03 06:49 ./usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -rw-r--r-- root/root 3683 2026-10-03 06:49 ./usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/DataStructs/ -rw-r--r-- root/root 11910 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/BitOps.h -rw-r--r-- root/root 2509 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/BitVect.h -rw-r--r-- root/root 1120 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/BitVectUtils.h -rw-r--r-- root/root 584 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/BitVects.h -rw-r--r-- root/root 936 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/DatastructsException.h -rw-r--r-- root/root 2775 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/DatastructsStreamOps.h -rw-r--r-- root/root 872 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/DiscreteDistMat.h -rw-r--r-- root/root 4395 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/DiscreteValueVect.h -rw-r--r-- root/root 3480 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/ExplicitBitVect.h -rw-r--r-- root/root 9516 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/FPBReader.h -rw-r--r-- root/root 7595 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/MultiFPBReader.h -rw-r--r-- root/root 4135 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/RealValueVect.h -rw-r--r-- root/root 3477 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/SparseBitVect.h -rw-r--r-- root/root 16943 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/SparseIntVect.h -rw-r--r-- root/root 1296 2026-10-03 06:49 ./usr/include/rdkit/DataStructs/base64.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/DistGeom/ -rw-r--r-- root/root 3186 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/BoundsMatrix.h -rw-r--r-- root/root 2001 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/ChiralSet.h -rw-r--r-- root/root 2964 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/ChiralViolationContribs.h -rw-r--r-- root/root 12256 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/DistGeomUtils.h -rw-r--r-- root/root 2194 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/DistViolationContribs.h -rw-r--r-- root/root 2507 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/FourthDimContribs.h -rw-r--r-- root/root 1310 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/TriangleSmooth.h -rw-r--r-- root/root 8190 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/ZMatrix.h -rw-r--r-- root/root 8190 2026-10-03 06:49 ./usr/include/rdkit/DistGeom/ZMatrixUtils.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Features/ -rw-r--r-- root/root 2898 2026-10-03 06:49 ./usr/include/rdkit/Features/Feature.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/ForceField/ -rw-r--r-- root/root 2174 2026-10-03 06:49 ./usr/include/rdkit/ForceField/AngleConstraint.h -rw-r--r-- root/root 4181 2026-10-03 06:49 ./usr/include/rdkit/ForceField/AngleConstraints.h -rw-r--r-- root/root 1116 2026-10-03 06:49 ./usr/include/rdkit/ForceField/Contrib.h -rw-r--r-- root/root 1917 2026-10-03 06:49 ./usr/include/rdkit/ForceField/DistanceConstraint.h -rw-r--r-- root/root 3499 2026-10-03 06:49 ./usr/include/rdkit/ForceField/DistanceConstraints.h -rw-r--r-- root/root 9291 2026-10-03 06:49 ./usr/include/rdkit/ForceField/ForceField.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/ForceField/MMFF/ -rw-r--r-- root/root 2958 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/AngleBend.h -rw-r--r-- root/root 603 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -rw-r--r-- root/root 2312 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/BondStretch.h -rw-r--r-- root/root 663 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/Contribs.h -rw-r--r-- root/root 618 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -rw-r--r-- root/root 5271 2026-10-03 06:49 ./usr/include/rdkit/ForceField/MMFF/Nonbonded.h 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1368 2026-10-03 06:49 ./usr/include/rdkit/ForceField/UFF/Utils.h -rw-r--r-- root/root 8997 2026-10-03 06:49 ./usr/include/rdkit/GaussianShape.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Geometry/ -rw-r--r-- root/root 1672 2026-10-03 06:49 ./usr/include/rdkit/Geometry/Grid3D.h -rw-r--r-- root/root 2027 2026-10-03 06:49 ./usr/include/rdkit/Geometry/GridUtils.h -rw-r--r-- root/root 449 2026-10-03 06:49 ./usr/include/rdkit/Geometry/Transform.h -rw-r--r-- root/root 2599 2026-10-03 06:49 ./usr/include/rdkit/Geometry/Transform2D.h -rw-r--r-- root/root 3192 2026-10-03 06:49 ./usr/include/rdkit/Geometry/Transform3D.h -rw-r--r-- root/root 8617 2026-10-03 06:49 ./usr/include/rdkit/Geometry/UniformGrid3D.h -rw-r--r-- root/root 8108 2026-10-03 06:49 ./usr/include/rdkit/Geometry/UniformRealValueGrid3D.h -rw-r--r-- root/root 3338 2026-10-03 06:49 ./usr/include/rdkit/Geometry/Utils.h -rw-r--r-- root/root 16270 2026-10-03 06:49 ./usr/include/rdkit/Geometry/point.h drwxr-xr-x root/root 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./usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -rw-r--r-- root/root 5940 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -rw-r--r-- root/root 2917 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -rw-r--r-- root/root 19698 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -rw-r--r-- root/root 5858 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -rw-r--r-- root/root 18137 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -rw-r--r-- root/root 4333 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -rw-r--r-- root/root 4944 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -rw-r--r-- root/root 3151 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -rw-r--r-- root/root 6887 2026-10-03 06:49 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06:49 ./usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h -rw-r--r-- root/root 4491 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -rw-r--r-- root/root 34251 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ROMol.h -rw-r--r-- root/root 6808 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RWMol.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/RascalMCES/ -rw-r--r-- root/root 2593 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -rw-r--r-- root/root 2682 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -rw-r--r-- root/root 4740 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -rw-r--r-- root/root 5458 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/ReducedGraphs/ -rw-r--r-- root/root 2712 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -rw-r--r-- root/root 9635 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Resonance.h -rw-r--r-- root/root 10742 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/RingInfo.h -rw-r--r-- root/root 3937 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Rings.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/SLNParse/ -rw-r--r-- root/root 3484 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -rw-r--r-- root/root 2796 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -rw-r--r-- root/root 11545 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -rw-r--r-- root/root 4232 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SanitException.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/ScaffoldNetwork/ -rw-r--r-- root/root 6650 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/ShapeHelpers/ -rw-r--r-- root/root 2956 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -rw-r--r-- root/root 11904 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/SmilesParse/ -rw-r--r-- root/root 1643 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -rw-r--r-- root/root 3223 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -rw-r--r-- root/root 970 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h -rw-r--r-- root/root 9138 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -rw-r--r-- root/root 3395 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -rw-r--r-- root/root 15383 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -rw-r--r-- root/root 4018 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/StereoGroup.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/Subgraphs/ -rw-r--r-- root/root 2306 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -rw-r--r-- root/root 7450 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -rw-r--r-- root/root 4866 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Subset.h -rw-r--r-- root/root 10521 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SubstanceGroup.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/Substruct/ -rw-r--r-- root/root 12476 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -rw-r--r-- root/root 2171 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/SubstructLibrary/ -rw-r--r-- root/root 1458 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -rw-r--r-- root/root 36428 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -rw-r--r-- root/root 8146 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/ -rw-r--r-- root/root 3484 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/ProgressBar.h -rw-r--r-- root/root 3987 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h -rw-r--r-- root/root 4223 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h -rw-r--r-- root/root 10189 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h -rw-r--r-- root/root 3723 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonShapeInput.h -rw-r--r-- root/root 26325 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h -rw-r--r-- root/root 2356 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h -rw-r--r-- root/root 1994 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h -rw-r--r-- root/root 8061 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h -rw-r--r-- root/root 6083 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceShapeSearcher.h -rw-r--r-- root/root 3348 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/TautomerQuery/ -rw-r--r-- root/root 5472 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/GraphMol/Trajectory/ -rw-r--r-- root/root 2259 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -rw-r--r-- root/root 4447 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -rw-r--r-- root/root 2464 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/atomic_data.h -rw-r--r-- root/root 373 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/details.h -rw-r--r-- root/root 5797 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/inchi.h -rw-r--r-- root/root 31564 2026-10-03 06:49 ./usr/include/rdkit/GraphMol/new_canon.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Numerics/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Numerics/Alignment/ -rw-r--r-- root/root 1644 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Alignment/AlignPoints.h -rw-r--r-- root/root 10355 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Conrec.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Numerics/EigenSolvers/ -rw-r--r-- root/root 2106 2026-10-03 06:49 ./usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h -rw-r--r-- root/root 10973 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Matrix.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Numerics/Optimizer/ -rw-r--r-- root/root 14321 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h -rw-r--r-- root/root 7596 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Optimizer/BFGSOpt_SVE.h -rw-r--r-- root/root 2631 2026-10-03 06:49 ./usr/include/rdkit/Numerics/SquareMatrix.h -rw-r--r-- root/root 10168 2026-10-03 06:49 ./usr/include/rdkit/Numerics/SymmMatrix.h -rw-r--r-- root/root 8571 2026-10-03 06:49 ./usr/include/rdkit/Numerics/Vector.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/Query/ -rw-r--r-- root/root 1804 2026-10-03 06:49 ./usr/include/rdkit/Query/AndQuery.h -rw-r--r-- root/root 2666 2026-10-03 06:49 ./usr/include/rdkit/Query/EqualityQuery.h -rw-r--r-- root/root 2342 2026-10-03 06:49 ./usr/include/rdkit/Query/GreaterEqualQuery.h -rw-r--r-- root/root 2263 2026-10-03 06:49 ./usr/include/rdkit/Query/GreaterQuery.h -rw-r--r-- root/root 2316 2026-10-03 06:49 ./usr/include/rdkit/Query/LessEqualQuery.h -rw-r--r-- root/root 2239 2026-10-03 06:49 ./usr/include/rdkit/Query/LessQuery.h -rw-r--r-- root/root 2556 2026-10-03 06:49 ./usr/include/rdkit/Query/NullQueryAlgebra.h -rw-r--r-- root/root 1795 2026-10-03 06:49 ./usr/include/rdkit/Query/OrQuery.h -rw-r--r-- root/root 6975 2026-10-03 06:49 ./usr/include/rdkit/Query/Query.h -rw-r--r-- root/root 839 2026-10-03 06:49 ./usr/include/rdkit/Query/QueryObjects.h -rw-r--r-- root/root 3765 2026-10-03 06:49 ./usr/include/rdkit/Query/RangeQuery.h -rw-r--r-- root/root 2690 2026-10-03 06:49 ./usr/include/rdkit/Query/SetQuery.h -rw-r--r-- root/root 1883 2026-10-03 06:49 ./usr/include/rdkit/Query/XOrQuery.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/RDBoost/ -rw-r--r-- root/root 2216 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/PySequenceHolder.h -rw-r--r-- root/root 12066 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/Wrap.h -rw-r--r-- root/root 342 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/boost_numpy.h -rw-r--r-- root/root 5785 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/list_indexing_suite.hpp -rw-r--r-- root/root 212 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/pyint_api.h -rw-r--r-- root/root 329 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/python.h -rw-r--r-- root/root 18835 2026-10-03 06:49 ./usr/include/rdkit/RDBoost/python_streambuf.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/ -rw-r--r-- root/root 1144 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/BadFileException.h -rw-r--r-- root/root 597 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/BetterEnums.h -rw-r--r-- root/root 3026 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/BoostEndInclude.h -rw-r--r-- root/root 4116 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/BoostStartInclude.h -rw-r--r-- root/root 3457 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/ConcurrentQueue.h -rw-r--r-- root/root 2259 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/ControlCHandler.h -rw-r--r-- root/root 12174 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/Dict.h -rw-r--r-- root/root 2326 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/Exceptions.h -rw-r--r-- root/root 1101 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/FileParseException.h -rw-r--r-- root/root 7310 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/Invariant.h -rw-r--r-- root/root 2199 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/LocaleSwitcher.h -rw-r--r-- root/root 6089 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDAny.h -rw-r--r-- root/root 1002 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/RDConfig.h -rw-r--r-- root/root 1335 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDExportMacros.h -rw-r--r-- root/root 5161 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDLog.h -rw-r--r-- root/root 5462 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDProps.h -rw-r--r-- root/root 917 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDThreads.h -rw-r--r-- root/root 15732 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDValue-doublemagic.h -rw-r--r-- root/root 15736 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDValue-taggedunion.h -rw-r--r-- root/root 9260 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/RDValue.h -rw-r--r-- root/root 1728 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/Ranking.h -rw-r--r-- root/root 17439 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/StreamOps.h -rw-r--r-- root/root 67566 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/enum.h -rw-r--r-- root/root 26016 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/export.h -rw-r--r-- root/root 3925 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hanoiSort.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/hash/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/hash/detail/ -rw-r--r-- root/root 4451 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp -rw-r--r-- root/root 4929 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp -rw-r--r-- root/root 4138 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hash/extensions.hpp -rw-r--r-- root/root 15699 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hash/hash.hpp -rw-r--r-- root/root 1240 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp -rw-r--r-- root/root 5918 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/test.h -rw-r--r-- root/root 14625 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/types.h -rw-r--r-- root/root 3459 2026-10-03 06:49 ./usr/include/rdkit/RDGeneral/utils.h -rw-r--r-- root/root 946 2026-10-21 04:47 ./usr/include/rdkit/RDGeneral/versions.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/RDStreams/ -rw-r--r-- root/root 430 2026-10-03 06:49 ./usr/include/rdkit/RDStreams/streams.h -rw-r--r-- root/root 16877 2026-10-03 06:49 ./usr/include/rdkit/ShapeInput.h -rw-r--r-- root/root 5020 2026-10-03 06:49 ./usr/include/rdkit/ShapeOverlayOptions.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/include/rdkit/SimDivPickers/ -rw-r--r-- root/root 2720 2026-10-03 06:49 ./usr/include/rdkit/SimDivPickers/DistPicker.h -rw-r--r-- root/root 3695 2026-10-03 06:49 ./usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -rw-r--r-- root/root 14014 2026-10-03 06:49 ./usr/include/rdkit/SimDivPickers/LeaderPicker.h -rw-r--r-- root/root 10132 2026-10-03 06:49 ./usr/include/rdkit/SimDivPickers/MaxMinPicker.h drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/cmake/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/cmake/rdkit/ -rw-r--r-- root/root 1865 2026-10-21 04:47 ./usr/lib/cmake/rdkit/rdkit-config-version.cmake -rw-r--r-- root/root 1529 2026-10-21 04:47 ./usr/lib/cmake/rdkit/rdkit-config.cmake -rw-r--r-- root/root 34167 2026-10-21 04:47 ./usr/lib/cmake/rdkit/rdkit-targets-none.cmake -rw-r--r-- root/root 24044 2026-10-21 04:47 ./usr/lib/cmake/rdkit/rdkit-targets.cmake drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/cmake/rdkitpython/ -rw-r--r-- root/root 1865 2026-10-21 04:47 ./usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake -rw-r--r-- root/root 327 2026-10-21 04:47 ./usr/lib/cmake/rdkitpython/rdkitpython-config.cmake -rw-r--r-- root/root 865 2026-10-21 04:47 ./usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake -rw-r--r-- root/root 5809 2026-10-21 04:47 ./usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitAbbreviations.so -> libRDKitAbbreviations.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitAlignment.so -> libRDKitAlignment.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitCIPLabeler.so -> libRDKitCIPLabeler.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitCatalogs.so -> libRDKitCatalogs.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitChemReactions.so -> libRDKitChemReactions.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitChemTransforms.so -> libRDKitChemTransforms.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitChemicalFeatures.so -> libRDKitChemicalFeatures.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDataStructs.so -> libRDKitDataStructs.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDepictor.so -> libRDKitDepictor.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDeprotect.so -> libRDKitDeprotect.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDescriptors.so -> libRDKitDescriptors.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDetermineBonds.so -> libRDKitDetermineBonds.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDistGeomHelpers.so -> libRDKitDistGeomHelpers.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitDistGeometry.so -> libRDKitDistGeometry.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitEigenSolvers.so -> libRDKitEigenSolvers.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitEnumerateStereoisomers.so -> libRDKitEnumerateStereoisomers.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitFMCS.so -> libRDKitFMCS.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitFileParsers.so -> libRDKitFileParsers.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitFilterCatalog.so -> libRDKitFilterCatalog.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitFingerprints.so -> libRDKitFingerprints.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitForceField.so -> libRDKitForceField.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitForceFieldHelpers.so -> libRDKitForceFieldHelpers.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitFragCatalog.so -> libRDKitFragCatalog.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/lib/libRDKitGaussianShape.so -> libRDKitGaussianShape.so.1 lrwxrwxrwx root/root 0 2026-10-21 04:47 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package, version 2.0. size 6596300 bytes: control archive=3620 bytes. 1969 bytes, 40 lines control 5439 bytes, 70 lines md5sums 3229 bytes, 65 lines shlibs 65 bytes, 2 lines triggers Package: librdkit1t64 Source: rdkit (202609.1-1) Version: 202609.1-1+b1 Architecture: loong64 Maintainer: Debichem Team Installed-Size: 31173 Depends: libboost-iostreams1.92.0 (>= 1.92.0), libboost-python1.92.0 (>= 1.92.0), libboost-python1.92.0-py314, libboost-serialization1.92.0 (>= 1.92.0), libc6 (>= 2.38), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libfreetype6 (>= 2.2.1), libgcc-s1 (>= 3.3), libinchi1.07 (>= 1.07.3+dfsg), libmaeparser1 (>= 1.3.3), libpython3.14 (>= 3.14.1), libstdc++6 (>= 14) Breaks: coot (<< 1.1.15+dfsg-1), librdkit1 (<< 202609.1-1) Replaces: librdkit1 Provides: librdkit1 (= 202609.1-1+b1) Section: libs Priority: optional Homepage: http://www.rdkit.org Description: Collection of cheminformatics and machine-learning software (shared libraries) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include: . * Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format. . 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postgresql-18-rdkit Source: rdkit (202609.1-1) Version: 202609.1-1+b1 Architecture: loong64 Maintainer: Debichem Team Installed-Size: 698 Depends: libc6 (>= 2.36), libgcc-s1 (>= 3.0), librdkit1t64 (>= 202609.1), libstdc++6 (>= 13.1), postgresql-18 Section: database Priority: optional Homepage: http://www.rdkit.org Description: Cheminformatics and machine-learning software (PostgreSQL Cartridge) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include: . * Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format. . 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./usr/lib/debug/.dwz/loongarch64-linux-gnu/python3-rdkit.debug drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/share/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-10-21 04:47 ./usr/share/doc/python3-rdkit-dbgsym -> python3-rdkit python3-rdkit_202609.1-1+b1_loong64.deb --------------------------------------- new Debian package, version 2.0. size 5011888 bytes: control archive=11648 bytes. 1917 bytes, 36 lines control 41231 bytes, 408 lines md5sums 285 bytes, 12 lines * postinst #!/bin/sh 423 bytes, 12 lines * prerm #!/bin/sh Package: python3-rdkit Source: rdkit (202609.1-1) Version: 202609.1-1+b1 Architecture: loong64 Maintainer: Debichem Team Installed-Size: 32908 Depends: fonts-freefont-ttf, rdkit-data, python3 (<< 3.15), python3 (>= 3.14~), python3-numpy2-abi0 | python3-numpy-abi9, python3:any, libboost-numpy1.92.0 (>= 1.92.0), libboost-numpy1.92.0-py314, libboost-python1.92.0 (>= 1.92.0), libboost-python1.92.0-py314, libboost-serialization1.92.0 (>= 1.92.0), libc6 (>= 2.36), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libgcc-s1 (>= 3.0), libpython3.14 (>= 3.14.1), librdkit1t64 (>= 202609.1), libstdc++6 (>= 14), python3-pil Suggests: rdkit-doc Section: python Priority: optional Homepage: http://www.rdkit.org Description: Collection of cheminformatics and machine-learning software RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include: . * Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format. drwxr-xr-x root/root 0 2026-10-21 04:47 ./ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/dist-packages/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/dist-packages/rdkit/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/dist-packages/rdkit/Avalon/ -rw-r--r-- root/root 0 2026-10-03 06:49 ./usr/lib/python3/dist-packages/rdkit/Avalon/__init__.py drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/dist-packages/rdkit/Chem/ -rw-r--r-- root/root 17005 2026-10-03 06:49 ./usr/lib/python3/dist-packages/rdkit/Chem/AllChem.py drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/ -rw-r--r-- root/root 5702 2026-10-03 06:49 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./usr/lib/python3/dist-packages/rdkit/utils/spiral.py drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/share/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-10-21 04:47 ./usr/share/doc/python3-rdkit/ -rw-r--r-- root/root 225 2026-09-08 09:09 ./usr/share/doc/python3-rdkit/TODO.Debian -rw-r--r-- root/root 3310 2026-10-21 04:47 ./usr/share/doc/python3-rdkit/changelog.Debian.gz -rw-r--r-- root/root 240 2026-10-21 04:47 ./usr/share/doc/python3-rdkit/changelog.Debian.loong64.gz -rw-r--r-- root/root 146711 2026-10-03 06:49 ./usr/share/doc/python3-rdkit/changelog.gz -rw-r--r-- root/root 64692 2026-09-08 09:09 ./usr/share/doc/python3-rdkit/copyright +------------------------------------------------------------------------------+ | Post Build Mon, 02 Nov 2026 14:31:56 +0000 | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup Mon, 02 Nov 2026 14:31:56 +0000 | +------------------------------------------------------------------------------+ Purging /build/reproducible-path Not cleaning session: cloned chroot in use +------------------------------------------------------------------------------+ | Summary Mon, 02 Nov 2026 14:32:11 +0000 | +------------------------------------------------------------------------------+ Build Architecture: loong64 Build Type: any Build-Space: 18526240 Build-Time: 4725 Distribution: unstable Host Architecture: loong64 Install-Time: 7 Job: /srv/rebuilderd/tmp/rebuilderdpoB6WJ/inputs/rdkit_202609.1-1.dsc Machine Architecture: loong64 Package: rdkit Package-Time: 4757 Source-Version: 202609.1-1 Space: 18526240 Status: successful Version: 202609.1-1+b1 -------------------------------------------------------------------------------- Finished at 2026-11-02T14:31:44Z Build needed 01:19:17, 18526240k disk space build artifacts stored in /srv/rebuilderd/tmp/rebuilderdpoB6WJ/out checking librdkit-dev_202609.1-1+b1_loong64.deb: size... sha256... sha1... md5... all OK checking librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb: size differs for librdkit1t64-dbgsym_202609.1-1+b1_loong64.deb